TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T25258 Multidrug resistance protein 1 D00AXJ Miconazole Approved 4189 C18H14Cl4N2O 416.1 C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl Ki = 55500 nM Poor binder T25258 Multidrug resistance protein 1 D00YZD Dolutegravir Approved 54726191 C20H19F2N3O5 419.4 C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O IC50 ~ 90000 nM Poor binder T25258 Multidrug resistance protein 1 D01TSI Ergotamine Approved 8223 C33H35N5O5 581.7 C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@H]5CN([C@@H]6CC7=CNC8=CC=CC(=C78)C6=C5)C Ki = 98900 nM Poor binder T25258 Multidrug resistance protein 1 D01XNB Omeprazole Approved 4594 C17H19N3O3S 345.4 CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC IC50 = 89000 nM Poor binder T25258 Multidrug resistance protein 1 D01XWG Daunorubicin Approved 30323 C27H29NO10 527.5 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O Ki = 111000 nM Poor binder T25258 Multidrug resistance protein 1 D02DPA Cimetidine Approved 2756 C10H16N6S 252.34 CC1=C(N=CN1)CSCCNC(=NC)NC#N IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D02OZE Digoxin Approved 2724385 C41H64O14 780.9 C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D02YIZ Erythromycin Approved 12560 C37H67NO13 733.9 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D03DDR Quinine Approved 3034034 C20H24N2O2 324.4 COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O IC50 = 74400 nM Poor binder T25258 Multidrug resistance protein 1 D03IGH Darunavir Approved 213039 C27H37N3O7S 547.7 CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 D04OSE Nifedipine Approved 4485 C17H18N2O6 346.3 CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC IC50 = 113000 nM Poor binder T25258 Multidrug resistance protein 1 D06WTZ Lovastatin Approved 53232 C24H36O5 404.5 CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C IC50 = 67000 nM Poor binder T25258 Multidrug resistance protein 1 D07BSQ Progesterone Approved 5994 C21H30O2 314.5 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C IC50 = 88100 nM Poor binder T25258 Multidrug resistance protein 1 D07IQS Atazanavir Approved 148192 C38H52N6O7 704.9 CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC IC50 = 67800 nM Poor binder T25258 Multidrug resistance protein 1 D07KSG Tamoxifen Approved 2733526 C26H29NO 371.5 CC/C(=C(\\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3 EC50 = 56500 nM Poor binder T25258 Multidrug resistance protein 1 D0A0OO Amprenavir Approved 65016 C25H35N3O6S 505.6 CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)N IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 D0B4IF Ketoconazole Approved 3823 C26H28Cl2N4O4 531.4 CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl IC50 = 53400 nM Poor binder T25258 Multidrug resistance protein 1 D0B7EB Etoposide Approved 36462 C29H32O13 588.6 C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D0C1IW Ergonovine Approved 443884 C19H23N3O2 325.4 C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C Ki ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 D0G5QB Alfentanil Approved 51263 C21H32N6O3 416.5 CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC IC50 = 112000 nM Poor binder T25258 Multidrug resistance protein 1 D0H0ND Simvastatin Approved 54454 C25H38O5 418.6 CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C IC50 = 56800 nM Poor binder T25258 Multidrug resistance protein 1 D0I2MK Metoprolol Approved 4171 C15H25NO3 267.36 CC(C)NCC(COC1=CC=C(C=C1)CCOC)O Ki = 200000 nM Poor binder T25258 Multidrug resistance protein 1 D0OB1J Diltiazem Approved 39186 C22H26N2O4S 414.5 CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC IC50 = 61659.5 nM Poor binder T25258 Multidrug resistance protein 1 D0R0FE Verapamil Approved 2520 C27H38N2O4 454.6 CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC IC50 = 53000 nM Poor binder T25258 Multidrug resistance protein 1 D0U6LM Midazolam Approved 4192 C18H13ClFN3 325.8 CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D0V3ZA Dihydroergotamine Approved 10531 C33H37N5O5 583.7 C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)CC4=CC=CC=C4)NC(=O)[C@@H]5C[C@H]6[C@@H](CC7=CNC8=CC=CC6=C78)N(C5)C Ki = 119940 nM Poor binder T25258 Multidrug resistance protein 1 D0V7CF Indinavir Approved 5362440 C36H47N5O4 613.8 CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5 IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 D0W9MM Vinblastine Approved 13342 C46H58N4O9 811 CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D0WE3O Morphine Approved 5288826 C17H19NO3 285.34 CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D0WI3T Saquinavir Approved 441243 C38H50N6O5 670.8 CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O IC50 = 100000 nM Poor binder T25258 Multidrug resistance protein 1 D0WN0U Felodipine Approved 3333 C18H19Cl2NO4 384.2 CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C IC50 ~ 60000 nM Poor binder T25258 Multidrug resistance protein 1 D07WCB Colchicine Phase 3 6167 C22H25NO6 399.4 CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D0DV8K Dexamethasone Phase 3 5743 C22H29FO5 392.5 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D0E2RD Abraxane Phase 3 36314 C47H51NO14 853.9 CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C IC50 = 53900 nM Poor binder T25258 Multidrug resistance protein 1 D0F7XT Fluoxetine Phase 3 3386 C17H18F3NO 309.33 CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F IC50 = 115500 nM Poor binder T25258 Multidrug resistance protein 1 D0FA3O Hydrocortisone Phase 3 5754 C21H30O5 362.5 C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 D0U3EP Resveratrol Phase 3 445154 C14H12O3 228.24 C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O IC50 = 60000 nM Poor binder T25258 Multidrug resistance protein 1 D0DL8A Clarithromycin Phase 2 84029 C38H69NO13 748 CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)O)(C)O IC50 = 50200 nM Poor binder T25258 Multidrug resistance protein 1 D0G7UX Cyclosporin A Phase 2 5284373 C62H111N11O12 1202.6 CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C EC50 = 80000 nM Poor binder T25258 Multidrug resistance protein 1 D0H7PW PIPERINE Phase 1/2 638024 C17H19NO3 285.34 C1CCN(CC1)C(=O)/C=C/C=C/C2=CC3=C(C=C2)OCO3 IC50 = 74100 nM Poor binder T25258 Multidrug resistance protein 1 D0Y3DN Flavonoid derivative 4 Patented 5280343 C15H10O7 302.23 C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O IC50 = 52500 nM Poor binder T25258 Multidrug resistance protein 1 D0Y7VM Forskolin Terminated 47936 C22H34O7 410.5 CC(=O)O[C@H]1[C@H]([C@@H]2[C@]([C@H](CCC2(C)C)O)([C@@]3([C@@]1(O[C@@](CC3=O)(C)C=C)C)O)C)O IC50 = 80200 nM Poor binder T25258 Multidrug resistance protein 1 B02WIQ N-Tert-Butyl-N'-(2,5-dimethylbenzoyl)-2-chlorobenzhydrazide Investigative 76316418 C20H23ClN2O2 358.9 CC1=CC(=C(C=C1)C)C(=O)NN(C(=O)C2=CC=CC=C2Cl)C(C)(C)C IC50 = 73600 nM Poor binder T25258 Multidrug resistance protein 1 B09TRV N-(2-Fluoro-4-pyridin-3-ylphenyl)pyridine-3-carboxamide Investigative 118708520 C17H12FN3O 293.29 C1=CC(=CN=C1)C2=CC(=C(C=C2)NC(=O)C3=CN=CC=C3)F IC50 = 60100 nM Poor binder T25258 Multidrug resistance protein 1 B0B4WG Methyl (1S,12S,14R,15R,18S)-12-[(E)-but-2-enoyl]oxy-15-ethyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137634390 C25H32N2O4 424.5 CC[C@H]1CN([C@H]2CC3=C([C@H](C[C@H]1[C@@H]2C(=O)OC)OC(=O)/C=C/C)NC4=CC=CC=C34)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B0FLE1 5,7-Dimethoxy-2-[4-[2-(4-nitrophenyl)ethyl]piperazine-1-carbonyl]chromen-4-one Investigative 127040367 C24H25N3O7 467.5 COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C(=O)N3CCN(CC3)CCC4=CC=C(C=C4)[N+](=O)[O-] IC50 = 83900 nM Poor binder T25258 Multidrug resistance protein 1 B0FZ8W 2-[(E)-2-(3,5-Dimethoxyphenyl)ethenyl]phenol Investigative 11161166 C16H16O3 256.3 COC1=CC(=CC(=C1)/C=C/C2=CC=CC=C2O)OC IC50 = 68000 nM Poor binder T25258 Multidrug resistance protein 1 B0HSP5 [6-(Dimethylamino)-9-[5-(piperidine-1-carbonyl)thiophen-2-yl]thioxanthen-3-ylidene]-dimethylazanium;hexafluorophosphate Investigative 71459602 C27H30F6N3OPS2 621.6 CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)C4=CC=C(S4)C(=O)N5CCCCC5.F[P-](F)(F)(F)(F)F IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B0QEW2 (4R,5S)-5-[(2R)-2-[(1R,3As,4E,7aR)-4-[(2Z)-2-[(3S,4S,5R)-3,5-dihydroxy-4-methyl-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-butyl-3-methylideneoxolan-2-one Investigative 11995339 C32H48O4 496.7 CCCC[C@H]1[C@@H](OC(=O)C1=C)C[C@@H](C)[C@H]2CC[C@@H]\\3[C@@]2(CCC/C3=C\\C=C/4\\C[C@H]([C@@H]([C@@H](C4=C)O)C)O)C EC50 = 95600 nM Poor binder T25258 Multidrug resistance protein 1 B0TM5D 3,4-Diphenyl-1,2,5-oxadiazole 2-oxide Investigative 243037 C14H10N2O2 238.24 C1=CC=C(C=C1)C2=NO[N+](=C2C3=CC=CC=C3)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B0Z2QX 4-[[4-(5,7-Dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzonitrile Investigative 127042305 C23H23N3O4 405.4 COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=C(C=C4)C#N IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B1CYN8 2-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]methyl]thiophene Investigative 90655459 C20H20O2S 324.4 COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC3=CC=CS3 EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B1OV8E (2S,5S,6R,11S)-5-Benzyl-6-(methoxymethoxy)-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Investigative 44285958 C23H33NO7 435.5 C[C@H]1COC(=O)C[C@H]([C@@H](N(C(=O)[C@@H](OC1=O)C(C)C)C)CC2=CC=CC=C2)OCOC IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B1XH9T 3-Methoxy-4-phenylfuroxan Investigative 44723582 C9H8N2O3 192.17 COC1=[N+](ON=C1C2=CC=CC=C2)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B1Y5MT (Z)-3-Hydroxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one Investigative 5320675 C18H14O4 294.3 COC1=C(C=CC2=C1C=CO2)C(=O)/C=C(/C3=CC=CC=C3)\\O IC50 = 88000 nM Poor binder T25258 Multidrug resistance protein 1 B21ZNF 2-(Piperidin-1-ylmethyl)-2,3-dihydrochromen-4-one Investigative 44421043 C15H19NO2 245.32 C1CCN(CC1)CC2CC(=O)C3=CC=CC=C3O2 EC50 = 176300 nM Poor binder T25258 Multidrug resistance protein 1 B23XUP 4-Methyl-3-phenylfuroxan Investigative 13144102 C9H8N2O2 176.17 CC1=NO[N+](=C1C2=CC=CC=C2)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B2CEF9 Methyl (1S,12E,14R,15R,18S)-12-(carbamoylhydrazinylidene)-15-ethyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137639186 C22H29N5O3 411.5 CC[C@H]1CN([C@H]2CC3=C(/C(=N/NC(=O)N)/C[C@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B2RMV1 5-(2,6-Ditert-butylselenopyran-1-ium-4-yl)thiophene-2-carboxylic acid;hexafluorophosphate Investigative 57523668 C18H23F6O2PSSe 527.4 CC(C)(C)C1=CC(=CC(=[Se+]1)C(C)(C)C)C2=CC=C(S2)C(=O)O.F[P-](F)(F)(F)(F)F IC50 = 111000 nM Poor binder T25258 Multidrug resistance protein 1 B32ALW (2S,5S,6R,11S)-5-Benzyl-6-hydroxy-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Investigative 44285867 C21H29NO6 391.5 C[C@H]1COC(=O)C[C@H]([C@@H](N(C(=O)[C@@H](OC1=O)C(C)C)C)CC2=CC=CC=C2)O IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B39EAC 5,7-Dimethoxy-2-[4-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperazin-1-yl]chromen-4-one Investigative 127028356 C23H23F3N2O6S 512.5 COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=C(C=C4)S(=O)(=O)C(F)(F)F IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B3H4TG N-Tert-butyl-3,5-dimethyl-N'-(2-methylbenzoyl)benzohydrazide Investigative 101134354 C21H26N2O2 338.4 CC1=CC=CC=C1C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C IC50 = 79900 nM Poor binder T25258 Multidrug resistance protein 1 B3VB9D 3,5-Dihydroxy-N-(2-nitro-4-phenylphenyl)benzamide Investigative 56945303 C19H14N2O5 350.3 C1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC(=C3)O)O)[N+](=O)[O-] IC50 = 72000 nM Poor binder T25258 Multidrug resistance protein 1 B3XE4N [(1S,2R,4S,5R,6R,7S,9R,12R)-4,5,12-Triacetyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] furan-2-carboxylate Investigative 44429279 C26H34O11 522.5 CC(=O)O[C@H]1C[C@@]([C@@]23[C@@H]([C@@H](C[C@@H]([C@@]2([C@H]1OC(=O)C)C)OC(=O)C4=CC=CO4)C(O3)(C)C)OC(=O)C)(C)O Ki = 100000 nM Poor binder T25258 Multidrug resistance protein 1 B40FVA (2S,3R)-2-Methyl-3-hydroxydecanoic acid (S)-1-(methoxycarbonyl)-2-methylpropyl ester Investigative 44286211 C17H32O5 316.4 CCCCCCC[C@H]([C@H](C)C(=O)O[C@@H](C(C)C)C(=O)OC)O IC50 ~ 83000 nM Poor binder T25258 Multidrug resistance protein 1 B40TFX 3-Nitro-4-phenyl-furazan 2-oxide Investigative 298546 C8H5N3O4 207.14 C1=CC=C(C=C1)C2=NO[N+](=C2[N+](=O)[O-])[O-] EC50 = 53000 nM Poor binder T25258 Multidrug resistance protein 1 B43UBX 4-[[4-[2-[6-Methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-2-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid Investigative 54580540 C45H47F3N4O11 876.9 COCCOCCOCCOC1=C(C=C2CCN(CC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)O)NC(=O)C5=NC6=CC=CC=C6C=C5)OC.C(=O)(C(F)(F)F)O IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B45STZ Dpdpe Investigative 44299404 C30H39N5O7S2 645.8 CC1([C@H](C(=O)NCC(=O)N[C@@H](C(=O)N[C@H](C(SS1)(C)C)C(=O)O)CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N)C IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 B4N9SR Methyl 4-[[4-[2-[7-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-2-carbonylamino)benzoate Investigative 54582535 C44H48N4O9 776.9 COCCOCCOCCOC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)OC)NC(=O)C5=NC6=CC=CC=C6C=C5)OC IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 B4R9FD 6-Methoxyflavanone Investigative 97860 C16H14O3 254.28 COC1=CC2=C(C=C1)OC(CC2=O)C3=CC=CC=C3 IC50 = 64000 nM Poor binder T25258 Multidrug resistance protein 1 B50MXN 4-Nitro-3-phenylfuroxan Investigative 560674 C8H5N3O4 207.14 C1=CC=C(C=C1)C2=[N+](ON=C2[N+](=O)[O-])[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B57DRE (E)-4-(3-Oxo-3-(3,4,5-trimethoxyphenyl)prop-1-en-1-yl)benzoic acid Investigative 5850257 C19H18O6 342.3 COC1=CC(=CC(=C1OC)OC)C(=O)/C=C/C2=CC=C(C=C2)C(=O)O IC50 = 141253.75 nM Poor binder T25258 Multidrug resistance protein 1 B5ANF0 2-[4-(Benzyloxy)phenyl]-3-(4-ethylphenyl)-2,3-dihydro-4(1H)-quinazolinone Investigative 3115657 C29H26N2O2 434.5 CCC1=CC=C(C=C1)N2C(NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)OCC5=CC=CC=C5 EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B5E4SX Methyl (1S,14R,15S,18S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137649928 C21H26N2O3 354.4 CC[C@@H]1CN([C@H]2CC3=C(C(=O)C[C@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B5LHK1 5-[[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]methyl]-1,3-benzodioxole Investigative 90655458 C23H22O4 362.4 COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC3=CC4=C(C=C3)OCO4 EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B5WN1U 3,4,5-Trimethoxy-N-(4-methoxy-2-nitrophenyl)benzamide Investigative 2787558 C17H18N2O7 362.3 COC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B5Y8DR (3S,6S,9S,12R,15S,18R,21R,24S,30S,33S)-30-[(1R)-1-Hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73351782 C60H107N11O13 1190.6 C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)C)[C@@H](C)O)O IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B5YR8J 3,4,5-Trihydroxy-N-(2-nitro-4-phenylphenyl)benzamide Investigative 56945300 C19H14N2O6 366.3 C1=CC=C(C=C1)C2=CC(=C(C=C2)NC(=O)C3=CC(=C(C(=C3)O)O)O)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B61KSJ 6,7-Dimethoxy-2-[3-(6-methoxy-3,4-dihydronaphthalen-1-yl)propyl]-3,4-dihydro-1H-isoquinoline Investigative 24945109 C25H31NO3 393.5 COC1=CC2=C(C=C1)C(=CCC2)CCCN3CCC4=CC(=C(C=C4C3)OC)OC EC50 = 83700 nM Poor binder T25258 Multidrug resistance protein 1 B65RZP Methyl (2S,3R)-3-hydroxy-2-methyldecanoate Investigative 10376018 C12H24O3 216.32 CCCCCCC[C@H]([C@H](C)C(=O)OC)O IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B67GMC 5,7-Dimethoxy-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]chromen-4-one Investigative 127042306 C22H23N3O6 425.4 COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=CC=C4[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B6LON0 N-(3,4-Dihydroxy-5-methoxyphenyl)-2-nitro-4-phenylbenzamide Investigative 56946617 C20H16N2O6 380.3 COC1=CC(=CC(=C1O)O)NC(=O)C2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B6Q1TE Ergocornine Investigative 73453 C31H39N5O5 561.7 CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O Ki = 105200 nM Poor binder T25258 Multidrug resistance protein 1 B6QBE8 4-[[4-[2-[6-Methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid Investigative 54583505 C45H47F3N4O11 876.9 COCCOCCOCCOC1=C(C=C2CCN(CC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)O)NC(=O)C5=CC6=C(C=C5)N=CC=C6)OC.C(=O)(C(F)(F)F)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 B6QR4P Methyl (1S,12E,14R,15R,18S)-15-ethyl-12-[(4-methoxyphenyl)methoxycarbonylhydrazinylidene]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137649439 C30H36N4O5 532.6 CC[C@H]1CN([C@H]2CC3=C(/C(=N/NC(=O)OCC4=CC=C(C=C4)OC)/C[C@H]1[C@@H]2C(=O)OC)NC5=CC=CC=C35)C IC50 = 52300 nM Poor binder T25258 Multidrug resistance protein 1 B76WBY 2-Phenyl-5-methyl-1-[2-hydroxy-3-(propylamino)propyl]-4-(2-thienylcarbonyl)-3H-pyrazole-3-one Investigative 10548953 C21H25N3O3S 399.5 CCCNCC(CN1C(=C(C(=O)N1C2=CC=CC=C2)C(=O)C3=CC=CS3)C)O EC50 = 72440 nM Poor binder T25258 Multidrug resistance protein 1 B7JAS6 (3S,6S,9S,12R,15S,18R,21R,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,28-octamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73356300 C60H107N11O12 1174.6 CC[C@H]1C(=O)N(CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C(C)C)C IC50 ~ 54000 nM Poor binder T25258 Multidrug resistance protein 1 B7ZHI4 3,4,5-Trimethoxy-N-(2-nitro-4-phenylphenyl)benzamide Investigative 56946727 C22H20N2O6 408.4 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B85XJS [9-[5-(Diethylcarbamoyl)thiophen-2-yl]-6-(dimethylamino)thioxanthen-3-ylidene]-dimethylazanium;hexafluorophosphate Investigative 44139344 C26H30F6N3OPS2 609.6 CCN(CC)C(=O)C1=CC=C(S1)C2=C3C=CC(=[N+](C)C)C=C3SC4=C2C=CC(=C4)N(C)C.F[P-](F)(F)(F)(F)F IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B87EWY (3S,6S,9S,12R,15S,18R,21R,24R,30S,33S)-33-[(E,1R,2R)-1-Hydroxy-2-methylhex-4-enyl]-1,4,7,12,15,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73351779 C62H111N11O12 1202.6 CCC[C@H]1C(=O)N(CC(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B89MOH 4-Phenyl-3-furoxancarbonitrile Investigative 1756 C9H5N3O2 187.15 C1=CC=C(C=C1)C2=NO[N+](=C2C#N)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B8LV9P 4-Benzoyl-1-(2-hydroxy-3-isopropylamino-propyl)-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one Investigative 10524623 C23H27N3O3 393.5 CC1=C(C(=O)N(N1CC(CNC(C)C)O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 EC50 = 83180 nM Poor binder T25258 Multidrug resistance protein 1 B8T2GD Methyl (1S,14R,15R,18S)-15-ethyl-17-methyl-12-sulfanylidene-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137648400 C21H26N2O2S 370.5 CC[C@H]1CN([C@H]2CC3=C(C(=S)C[C@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C IC50 = 77920 nM Poor binder T25258 Multidrug resistance protein 1 B8W5QJ (2S,5S,6R,10R,11S)-5-Benzyl-6-(methoxymethoxy)-4,10,11-trimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Investigative 44285868 C24H35NO7 449.5 C[C@H]1[C@H](OC(=O)C[C@H]([C@@H](N(C(=O)[C@@H](OC1=O)C(C)C)C)CC2=CC=CC=C2)OCOC)C IC50 ~ 75000 nM Poor binder T25258 Multidrug resistance protein 1 B8ZWB1 Methyl (1S,12E,14R,15S,18S)-12-(carbamoylhydrazinylidene)-15-ethyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137662263 C22H29N5O3 411.5 CC[C@@H]1CN([C@H]2CC3=C(/C(=N/NC(=O)N)/C[C@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B91KXE (3S,6S,9S,12R,15S,18R,21R,24R,30S,33S)-12-(4-Aminobutyl)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhept-4-enyl]-1,4,7,10,15,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73350275 C66H120N12O12 1273.7 CC/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)CCCCN)C)CC(C)C)C)C(C)C)CC(C)C)C)C)CC)O IC50 = 130000 nM Poor binder T25258 Multidrug resistance protein 1 B93WPZ N-Tert-butyl-N'-(3-methoxybenzoyl)-3,5-dimethylbenzohydrazide Investigative 19367952 C21H26N2O3 354.4 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=CC(=CC=C2)OC)C IC50 = 58100 nM Poor binder T25258 Multidrug resistance protein 1 B95BLV 4-[4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-yl]-N,N-dimethylaniline Investigative 4594014 C13H10F6N4 336.24 CN(C)C1=CC=C(C=C1)C2=NC(=NC(=N2)C(F)(F)F)C(F)(F)F EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B97WLM 3,4-Dihydroxy-5-methoxy-N-(4-methoxy-2-nitrophenyl)benzamide Investigative 56945305 C15H14N2O7 334.28 COC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)O)O)[N+](=O)[O-] IC50 = 65000 nM Poor binder T25258 Multidrug resistance protein 1 B9ETU7 1-Tert-Butyl-1-(2-chlorobenzoyl)-2-(3-nitrobenzoyl)hydrazine Investigative 101685684 C18H18ClN3O4 375.8 CC(C)(C)N(C(=O)C1=CC=CC=C1Cl)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-] IC50 = 64400 nM Poor binder T25258 Multidrug resistance protein 1 B9F8TY 4-[[4-[2-[7-Methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-2-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid Investigative 54587417 C45H47F3N4O11 876.9 COCCOCCOCCOC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)O)NC(=O)C5=NC6=CC=CC=C6C=C5)OC.C(=O)(C(F)(F)F)O IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B9IMG8 4-Phenyl-3-furoxancarboxamide Investigative 5325386 C9H7N3O3 205.17 C1=CC=C(C=C1)C2=NO[N+](=C2C(=O)N)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B9KVN2 (3S,6S,9S,12R,15S,18R,21R,24R,30S,33S)-33-[(E,1R,2R)-1,6-Dihydroxy-2-methylhex-4-enyl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73347183 C62H111N11O13 1218.6 CC[C@H]1C(=O)N(CC(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/CO)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C IC50 = 50000 nM Poor binder T25258 Multidrug resistance protein 1 B9L5CZ Ranitidine Base Investigative 5039 C13H22N4O3S 314.41 CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 B9M5HI 4-Benzoyl-1-(3-tert-butylamino-2-hydroxy-propyl)-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one Investigative 10573453 C24H29N3O3 407.5 CC1=C(C(=O)N(N1CC(CNC(C)(C)C)O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3 EC50 = 81280 nM Poor binder T25258 Multidrug resistance protein 1 B9ODT8 Methyl (1S,12E,14R,15S,18S)-15-ethyl-17-methyl-12-(pyrazin-2-ylhydrazinylidene)-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137643768 C25H30N6O2 446.5 CC[C@@H]1CN([C@H]2CC3=C(/C(=N/NC4=NC=CN=C4)/C[C@H]1[C@@H]2C(=O)OC)NC5=CC=CC=C35)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 B9WG1K (3S,6S,9R,10R,11S,12S,13E,15E,18S)-18-((2E,4E)-6-(1,2-Oxazinan-2-yl)-6-oxohexa-2,4-dien-2-yl)-3-(3-fluoro-5-hydroxybenzyl)-10,12-dihydroxy-6-isopropyl-11-methyl-9-(3-oxobutyl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetraone Investigative 60203940 C45H62FN5O11 868 C[C@H]1[C@H](/C=C/C=C/C[C@H](OC(=O)C2CCCN(N2)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@@H]1O)CCC(=O)C)C(C)C)CC3=CC(=CC(=C3)F)O)/C(=C/C=C/C(=O)N4CCCCO4)/C)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 BA9W0K Methyl (1S,14R,15R,18S)-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 118722600 C21H26N2O3 354.4 CC[C@H]1CN([C@H]2CC3=C(C(=O)C[C@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BAD5J9 N-Tert-butyl-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide Investigative 135993331 C14H19N3O4 293.32 CC(C)(C)NC(=O)C(=O)N/N=C/C1=C(C(=CC=C1)OC)O EC50 = 102200 nM Poor binder T25258 Multidrug resistance protein 1 BAJ47M 2-(1-Azepanyl)-N'-(2-chloro-6-fluorobenzylidene)-2-oxoacetohydrazide Investigative 6871267 C15H17ClFN3O2 325.76 C1CCCN(CC1)C(=O)C(=O)N/N=C/C2=C(C=CC=C2Cl)F EC50 = 159300 nM Poor binder T25258 Multidrug resistance protein 1 BB6L4Y (3-Methyl-2,3-dihydrobenzofuran-2-yl)(piperidin-1-yl)methanone Investigative 44421052 C15H19NO2 245.32 CC1C(OC2=CC=CC=C12)C(=O)N3CCCCC3 EC50 = 103600 nM Poor binder T25258 Multidrug resistance protein 1 BBEY19 Methyl (1S,12S,14R,15S,18S)-15-ethyl-12-hydroxy-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137644531 C21H28N2O3 356.5 CC[C@@H]1CN([C@H]2CC3=C([C@H](C[C@H]1[C@@H]2C(=O)OC)O)NC4=CC=CC=C34)C IC50 = 83860 nM Poor binder T25258 Multidrug resistance protein 1 BBGR98 5-Methoxy-N-(2-nitro-4-phenylphenyl)-3,4-dioxocyclohexa-1,5-diene-1-carboxamide Investigative 56946723 C20H14N2O6 378.3 COC1=CC(=CC(=O)C1=O)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BBQ23W N-(4-Bromo-2-nitrophenyl)-3,4,5-trihydroxybenzamide Investigative 56945299 C13H9BrN2O6 369.12 C1=CC(=C(C=C1Br)[N+](=O)[O-])NC(=O)C2=CC(=C(C(=C2)O)O)O IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BBQ78S 4-Chloro-2-[(E)-2-(3,5-dimethoxy-phenyl)-vinyl]-phenol Investigative 11644985 C16H15ClO3 290.74 COC1=CC(=CC(=C1)/C=C/C2=C(C=CC(=C2)Cl)O)OC IC50 = 73000 nM Poor binder T25258 Multidrug resistance protein 1 BBUE53 2-[4-[(3,4-Difluorophenyl)methyl]piperazin-1-yl]-5,7-dimethoxychromen-4-one Investigative 127042920 C22H22F2N2O4 416.4 COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC(=C(C=C4)F)F IC50 = 58500 nM Poor binder T25258 Multidrug resistance protein 1 BC3Y7Q Methyl (1S,12S,14R,15R,18S)-15-ethyl-12-hydroxy-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137659144 C21H28N2O3 356.5 CC[C@H]1CN([C@H]2CC3=C([C@H](C[C@H]1[C@@H]2C(=O)OC)O)NC4=CC=CC=C34)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BC84HW 4-Phenylsulfonylfuroxan-3-carbonitrile Investigative 15290116 C9H5N3O4S 251.22 C1=CC=C(C=C1)S(=O)(=O)C2=NO[N+](=C2C#N)[O-] EC50 = 55400 nM Poor binder T25258 Multidrug resistance protein 1 BCNW23 (3R,4S)-3-(Methoxymethoxy)-4-[methyl(benzyloxycarbonyl)amino]-5-phenylvaleric acid methyl ester Investigative 44285975 C23H29NO6 415.5 CN([C@@H](CC1=CC=CC=C1)[C@@H](CC(=O)OC)OCOC)C(=O)OCC2=CC=CC=C2 IC50 ~ 86000 nM Poor binder T25258 Multidrug resistance protein 1 BCQT69 N-(2-Fluoro-4-pyridin-3-ylphenyl)-3,4-dimethoxybenzenesulfonamide Investigative 118708523 C19H17FN2O4S 388.4 COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C3=CN=CC=C3)F)OC IC50 = 67500 nM Poor binder T25258 Multidrug resistance protein 1 BD4W1L 4-Phenylsulfonylfuroxan-3-carboxamide Investigative 46843551 C9H7N3O5S 269.24 C1=CC=C(C=C1)S(=O)(=O)C2=NO[N+](=C2C(=O)N)[O-] EC50 = 52600 nM Poor binder T25258 Multidrug resistance protein 1 BD6V1Y N'-Benzoyl-N-tert-butyl-3,5-dimethylbenzohydrazide Investigative 183463 C20H24N2O2 324.4 CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=CC=CC=C2)C IC50 = 100400 nM Poor binder T25258 Multidrug resistance protein 1 BDMR94 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol Investigative 91536 C16H21NO2 259.339 CC(C)NC[C@@H](COC1=CC=CC2=CC=CC=C21)O Ki = 170000 nM Poor binder T25258 Multidrug resistance protein 1 BDVM60 Methyl 4-[[4-(5,7-dimethoxy-4-oxochromen-2-yl)piperazin-1-yl]methyl]benzoate Investigative 127042304 C24H26N2O6 438.5 COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)N3CCN(CC3)CC4=CC=C(C=C4)C(=O)OC IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BE0DW1 (5S,6S,10R,11S)-5-Benzyl-10-butyl-6-(methoxymethoxy)-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Investigative 44285866 C24H35NO7 449.5 CCCC[C@@H]1[C@@H](C(=O)OCC(=O)N([C@H]([C@H](CC(=O)O1)OCOC)CC2=CC=CC=C2)C)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BE68TV Methyl (1S,12E,14R,15R,18S)-15-ethyl-17-methyl-12-(phenylhydrazinylidene)-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137133332 C27H32N4O2 444.6 CC[C@H]1CN([C@H]2CC3=C(/C(=N/NC4=CC=CC=C4)/C[C@H]1[C@@H]2C(=O)OC)NC5=CC=CC=C35)C IC50 = 52720 nM Poor binder T25258 Multidrug resistance protein 1 BE9OZ2 Methyl (1S,12E,14R,15R,18S)-15-ethyl-12-hydrazinylidene-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137649914 C21H28N4O2 368.5 CC[C@H]1CN([C@H]2CC3=C(/C(=N/N)/C[C@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C IC50 = 73370 nM Poor binder T25258 Multidrug resistance protein 1 BEFN12 2,4-Dichloro-1-[[2-(2-phenylethyl)phenoxy]methyl]benzene Investigative 90655457 C21H18Cl2O 357.3 C1=CC=C(C=C1)CCC2=CC=CC=C2OCC3=C(C=C(C=C3)Cl)Cl EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BEIN24 4-[[4-[2-[7-Methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid Investigative 54586399 C45H47F3N4O11 876.9 COCCOCCOCCOC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)O)NC(=O)C5=CC6=C(C=C5)N=CC=C6)OC.C(=O)(C(F)(F)F)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 BES81X 3,4-Dihydroxy-5-methoxy-N-(2-nitro-4-phenylphenyl)benzamide Investigative 56945420 C20H16N2O6 380.3 COC1=CC(=CC(=C1O)O)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-] IC50 = 67000 nM Poor binder T25258 Multidrug resistance protein 1 BF06HV Bis[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methyl] butanedioate Investigative 90667031 C32H38N12O4 654.7 C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)COC(=O)CCC(=O)OC[C@H]5C[C@H](C=C5)N6C=NC7=C(N=C(N=C76)N)NC8CC8 IC50 = 50000 nM Poor binder T25258 Multidrug resistance protein 1 BF13XH 5-Oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-amine Investigative 687260 C8H7N3O2 177.16 C1=CC=C(C=C1)C2=[N+](ON=C2N)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BF5H0M 3-Methyl-4-phenylsulphonylfuroxan Investigative 5325373 C9H8N2O4S 240.24 CC1=[N+](ON=C1S(=O)(=O)C2=CC=CC=C2)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BF8DQ5 4-Tert-butyl-N-{2-[(4-tert-butylbenzyl)sulfanyl]-1,3-benzothiazol-6-yl}benzamide Investigative 3906724 C29H32N2OS2 488.7 CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(C)(C)C EC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 BF9QW5 3-Methyl-4-phenylfurazan 2-oxide Investigative 12219475 C9H8N2O2 176.17 CC1=[N+](ON=C1C2=CC=CC=C2)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BG1AZ2 (3S,6S,9S,12R,15S,18R,21R,24R,30S,33S)-15,30-Diethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhept-4-enyl]-1,4,7,10,12,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73353258 C64H115N11O12 1230.7 CC/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)CC)CC(C)C)C)C(C)C)CC(C)C)C)C)CC)O IC50 = 50000 nM Poor binder T25258 Multidrug resistance protein 1 BGQ75E Chembl4292641 Investigative 22673 C16H25NO2 263.37 CCCCCN1CCC2=CC(=C(C=C2C1)OC)OC EC50 = 76400 nM Poor binder T25258 Multidrug resistance protein 1 BH53MT (5S,6S,10R,11S)-5-Benzyl-10-butyl-6-hydroxy-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Investigative 44285571 C22H31NO6 405.5 CCCC[C@@H]1[C@@H](C(=O)OCC(=O)N([C@H]([C@H](CC(=O)O1)O)CC2=CC=CC=C2)C)C IC50 ~ 80000 nM Poor binder T25258 Multidrug resistance protein 1 BH7X1K Methyl (1S,14R,15R,18S)-10-[2-(diethylamino)ethyl]-15-ethyl-17-methyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137647673 C27H39N3O3 453.6 CC[C@H]1CN([C@H]2CC3=C(C(=O)C[C@H]1[C@@H]2C(=O)OC)N(C4=CC=CC=C34)CCN(CC)CC)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BI50RB N-(4-Bromo-2-nitrophenyl)-3,4,5-trimethoxybenzamide Investigative 57393400 C16H15BrN2O6 411.2 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C=C(C=C2)Br)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BIE53W Methyl (1S,14R,15R,18S)-15-ethyl-17-methyl-10-(3-methylbenzoyl)-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137654281 C29H32N2O4 472.6 CC[C@H]1CN([C@H]2CC3=C(C(=O)C[C@H]1[C@@H]2C(=O)OC)N(C4=CC=CC=C34)C(=O)C5=CC=CC(=C5)C)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BISO92 2-Phenyl-5-methyl-1-[2-hydroxy-3-(tert-butylamino)propyl]-4-(2-thienylcarbonyl)-3H-pyrazole-3-one Investigative 10811691 C22H27N3O3S 413.5 CC1=C(C(=O)N(N1CC(CNC(C)(C)C)O)C2=CC=CC=C2)C(=O)C3=CC=CS3 EC50 = 72440 nM Poor binder T25258 Multidrug resistance protein 1 BJ7B5C 3-Amino-4-phenyl-1,2,5-oxadiazol-2-ium-2-olate Investigative 135449697 C8H7N3O2 177.16 C1=CC=C(C=C1)C2=NO[N+](=C2N)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BK6D4A (3S,6S,9S,12R,15S,18R,21R,24R,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,12,15,19,25,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73354773 C61H109N11O12 1188.6 CC[C@H]1C(=O)N(CC(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BKC17Q 3-Phenylsulfonylfuroxan-4-carboxamide Investigative 46899725 C9H7N3O5S 269.24 C1=CC=C(C=C1)S(=O)(=O)C2=[N+](ON=C2C(=O)N)[O-] EC50 = 50000 nM Poor binder T25258 Multidrug resistance protein 1 BKE78W 1,1':3',1''-Terbenzene-3,4'',5-triol Investigative 11666294 C18H14O3 278.3 C1=CC(=CC(=C1)C2=CC(=CC(=C2)O)O)C3=CC=C(C=C3)O IC50 = 58000 nM Poor binder T25258 Multidrug resistance protein 1 BKZ71G (3S,6S,9S,12R,15S,18R,21R,24S,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,28-octamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73348701 C61H109N11O12 1188.6 CC[C@H]1C(=O)N(CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BL0PJ5 Methyl 4-((4-(2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl)phenyl)aminocarbonyl)-2-(5-methylpyrazine-2-carbonylamino)benzoate Investigative 25223201 C34H35N5O6 609.7 CC1=CN=C(C=N1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)CCN4CCC5=CC(=C(C=C5C4)OC)OC)C(=O)OC IC50 ~ 57000 nM Poor binder T25258 Multidrug resistance protein 1 BL42KS Methyl (1S,14R,15R,18S)-15-ethyl-10,17-dimethyl-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137638388 C22H28N2O3 368.5 CC[C@H]1CN([C@H]2CC3=C(C(=O)C[C@H]1[C@@H]2C(=O)OC)N(C4=CC=CC=C34)C)C IC50 = 89160 nM Poor binder T25258 Multidrug resistance protein 1 BL45HU Troleandomycin Investigative 202225 C41H67NO15 814 C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C IC50 = 68300 nM Poor binder T25258 Multidrug resistance protein 1 BLZN68 Methyl 4-(4-(2-(6-methoxy-7-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenylcarbamoyl)-2-(quinoline-6-carboxamido)benzoate Investigative 54582627 C44H48N4O9 776.9 COCCOCCOCCOC1=C(C=C2CCN(CC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)OC)NC(=O)C5=CC6=C(C=C5)N=CC=C6)OC IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 BM6AS7 3-Phenyl-4-furoxancarboxamide Investigative 5325385 C9H7N3O3 205.17 C1=CC=C(C=C1)C2=[N+](ON=C2C(=O)N)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BMI10Z (E)-3,5-Di-tert-butyl-3',5'-dimethoxystilbene-4-ol Investigative 11199480 C24H32O3 368.5 CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C2=CC(=CC(=C2)OC)OC IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BMI79J 3'-((2-Hydroxy-3-morpholino)propoxy)acetophenone Investigative 46199 C15H21NO4 279.33 CC(=O)C1=CC(=CC=C1)OCC(CN2CCOCC2)O EC50 = 128000 nM Poor binder T25258 Multidrug resistance protein 1 BN56BV 2-(3,5-Dimethoxy-phenyl)-6-methoxy-naphthalene Investigative 11687939 C19H18O3 294.3 COC1=CC2=C(C=C1)C=C(C=C2)C3=CC(=CC(=C3)OC)OC IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BN6AT4 Lansoprazole Investigative 3883 C16H14F3N3O2S 369.4 CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F IC50 = 62800 nM Poor binder T25258 Multidrug resistance protein 1 BN6Q5G 3,4-Dihydroxy-5-methoxy-N-(4-phenylphenyl)benzamide Investigative 56945526 C20H17NO4 335.4 COC1=CC(=CC(=C1O)O)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BN9X1Y Dimethyl-[10-[5-(piperidine-1-carbonyl)thiophen-2-yl]-3-thia-17-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(21),2(11),4,7,9,12-hexaen-6-ylidene]azanium;hexafluorophosphate Investigative 71450544 C31H34F6N3OPS2 673.7 C[N+](=C1C=CC2=C(C3=C(C4=C5C(=C3)CCCN5CCC4)SC2=C1)C6=CC=C(S6)C(=O)N7CCCCC7)C.F[P-](F)(F)(F)(F)F IC50 = 56000 nM Poor binder T25258 Multidrug resistance protein 1 BO9ST6 Methyl 4-[[4-[2-[7-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-6-carbonylamino)benzoate Investigative 54587433 C44H48N4O9 776.9 COCCOCCOCCOC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)OC)NC(=O)C5=CC6=C(C=C5)N=CC=C6)OC IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BP21ZK 2-Phenyl-5-methyl-1-[2-hydroxy-3-(isopropylamino)propyl]-4-(2-thienylcarbonyl)-3H-pyrazole-3-one Investigative 10834768 C21H25N3O3S 399.5 CC1=C(C(=O)N(N1CC(CNC(C)C)O)C2=CC=CC=C2)C(=O)C3=CC=CS3 EC50 = 123030 nM Poor binder T25258 Multidrug resistance protein 1 BP43SV Methyl (1S,12S,14R,15S,18S)-12-(adamantane-1-carbonyloxy)-15-ethyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137661609 C32H42N2O4 518.7 CC[C@@H]1CN([C@H]2CC3=C([C@H](C[C@H]1[C@@H]2C(=O)OC)OC(=O)C45CC6CC(C4)CC(C6)C5)NC7=CC=CC=C37)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BP4N0Y 2-[(4-Amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetic acid Investigative 14821386 C18H17N3O2S2 371.5 C1CCC2=C(C1)C3=C(N=C(N=C3S2)SC(C4=CC=CC=C4)C(=O)O)N EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BP82FA (3S,6S,9S,12R,15S,18R,21S,24R,30S,33S)-30-[(1R)-1-Hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,6,10,12,15,19,25,28-nonamethyl-9,18,21,24-tetrakis(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73347188 C59H105N11O13 1176.5 C/C=C/C[C@@H](C)[C@H]([C@H]1C(=O)N[C@H](C(=O)N(CC(=O)N([C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1C)C(C)C)C)C)CC(C)C)C)C)C)CC(C)C)C)CC(C)C)CC(C)C)C)C)[C@@H](C)O)O IC50 = 56000 nM Poor binder T25258 Multidrug resistance protein 1 BPDQ01 3-Phenylfuroxan-4-sulfonamide Investigative 44542293 C8H7N3O4S 241.23 C1=CC=C(C=C1)C2=[N+](ON=C2S(=O)(=O)N)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BQ40PL 1,3-Dimethoxy-5-[4-(4-methoxyphenyl)phenyl]benzene Investigative 11709536 C21H20O3 320.4 COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)OC)OC IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BQ7UC6 3-Methoxy-5-[(2-nitro-4-phenylanilino)methyl]benzene-1,2-diol Investigative 56946616 C20H18N2O5 366.4 COC1=CC(=CC(=C1O)O)CNC2=C(C=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-] IC50 = 72000 nM Poor binder T25258 Multidrug resistance protein 1 BR7DN3 Methyl 4-[[4-[2-[6-methoxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]phenyl]carbamoyl]-2-(quinoline-2-carbonylamino)benzoate Investigative 54586413 C44H48N4O9 776.9 COCCOCCOCCOC1=C(C=C2CCN(CC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)OC)NC(=O)C5=NC6=CC=CC=C6C=C5)OC IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 BRO10G 5-[(E)-3,5-Dimethoxystyryl]phenol Investigative 11368874 C16H16O3 256.3 COC1=CC(=CC(=C1)/C=C/C2=CC(=CC=C2)O)OC IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BT62CF 4-[[4-[2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-2-(quinoline-2-carbonylamino)benzoic acid;2,2,2-trifluoroacetic acid Investigative 54581538 C39H35F3N4O8 744.7 COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)C(=O)O)NC(=O)C5=NC6=CC=CC=C6C=C5)OC.C(=O)(C(F)(F)F)O IC50 ~ 50000 nM Poor binder T25258 Multidrug resistance protein 1 BT6E4M N-(2-Amino-4-phenylphenyl)-3,4-dihydroxy-5-methoxybenzamide Investigative 56945527 C20H18N2O4 350.4 COC1=CC(=CC(=C1O)O)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3)N IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BU30PH 3-Phenyl-4-cyano-furoxan Investigative 5325387 C9H5N3O2 187.15 C1=CC=C(C=C1)C2=[N+](ON=C2C#N)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BU78CG 2-alpha-Acetoxy-6-beta,9-beta-difuroyloxy-1-alpha,4-beta-dihydroxy-dihydro-beta-agarofuran Investigative 44429252 C27H32O11 532.5 CC(=O)O[C@H]1C[C@@]([C@@]23[C@@H]([C@@H](C[C@@H]([C@@]2([C@H]1O)C)OC(=O)C4=CC=CO4)C(O3)(C)C)OC(=O)C5=CC=CO5)(C)O Ki = 100000 nM Poor binder T25258 Multidrug resistance protein 1 BU8P6Q (3S,6S,9S,12R,15S,18S,21R,24R,30S,33S)-30-Ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,10,12,15,25,28-heptamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone Investigative 73348697 C60H107N11O12 1174.6 CC[C@H]1C(=O)N(CC(=O)N([C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)CC(C)C)C)C)C)CC(C)C)C(C)C)CC(C)C)C)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BUK6C5 2-(4-Amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetic acid Investigative 14821388 C16H15N3O2S2 345.4 CC1=C(SC2=NC(=NC(=C12)N)SC(C3=CC=CC=C3)C(=O)O)C EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BUS32X 4-Phenylfuroxan-3-sulfonamide Investigative 44542743 C8H7N3O4S 241.23 C1=CC=C(C=C1)C2=NO[N+](=C2S(=O)(=O)N)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BUT26D N-(2-Acetamido-4-phenylphenyl)-3,4-dihydroxy-5-methoxybenzamide Investigative 56945529 C22H20N2O5 392.4 CC(=O)NC1=C(C=CC(=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C(=C3)OC)O)O IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BV2MF4 (2S,5S,6R,10R,11S)-5-Benzyl-6-hydroxy-4,10,11-trimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Investigative 44285474 C22H31NO6 405.5 C[C@H]1[C@H](OC(=O)C[C@H]([C@@H](N(C(=O)[C@@H](OC1=O)C(C)C)C)CC2=CC=CC=C2)O)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BV6T7U N-[1,1'-Biphenyl]-4-yl-3,4,5-trimethoxybenzamide Investigative 2094802 C22H21NO4 363.4 COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3 IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BW2E7S 4-Methoxy-3-phenylfuroxan Investigative 921567 C9H8N2O3 192.17 COC1=NO[N+](=C1C2=CC=CC=C2)[O-] EC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BW9U2S N-[4-(3,4-Dihydroxyphenyl)-2-nitrophenyl]-3,4-dihydroxy-5-methoxybenzamide Investigative 56945422 C20H16N2O8 412.3 COC1=CC(=CC(=C1O)O)C(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)O)O)[N+](=O)[O-] IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BWNZ07 5,7-Dimethoxy-2-[4-[(4-nitrophenyl)methyl]piperazine-1-carbonyl]chromen-4-one Investigative 127040368 C23H23N3O7 453.4 COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)[N+](=O)[O-] IC50 = 58200 nM Poor binder T25258 Multidrug resistance protein 1 BX3R5M Methyl (1S,12E,14R,15R,18S)-15-ethyl-17-methyl-12-(pyrazin-2-ylhydrazinylidene)-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137635483 C25H30N6O2 446.5 CC[C@H]1CN([C@H]2CC3=C(/C(=N/NC4=NC=CN=C4)/C[C@H]1[C@@H]2C(=O)OC)NC5=CC=CC=C35)C IC50 = 84780 nM Poor binder T25258 Multidrug resistance protein 1 BX5PU4 (5S,6S,10R,11S)-5-Benzyl-6-(methoxymethoxy)-4,10,11-trimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Investigative 44285572 C21H29NO7 407.5 C[C@H]1[C@H](OC(=O)C[C@@H]([C@@H](N(C(=O)COC1=O)C)CC2=CC=CC=C2)OCOC)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BXJ9N3 (5S,6S,10R,11S)-5-Benzyl-6-hydroxy-4,10,11-trimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione Investigative 44285926 C19H25NO6 363.4 C[C@H]1[C@H](OC(=O)C[C@@H]([C@@H](N(C(=O)COC1=O)C)CC2=CC=CC=C2)O)C IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BXU07H Methyl (1S,12E,14R,15S,18S)-15-ethyl-12-hydroxyimino-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate Investigative 137635158 C21H27N3O3 369.5 CC[C@@H]1CN([C@H]2CC3=C(/C(=N/O)/C[C@H]1[C@@H]2C(=O)OC)NC4=CC=CC=C34)C IC50 = 85360 nM Poor binder T25258 Multidrug resistance protein 1 BY65KX 2'-(2-Hydroxy-3-morpholinopropoxy)propiophenone Investigative 10827573 C16H23NO4 293.36 CCC(=O)C1=CC=CC=C1OCC(CN2CCOCC2)O EC50 = 67000 nM Poor binder T25258 Multidrug resistance protein 1 BYT37I 4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-2,6-dimethoxy-phenol Investigative 44410932 C18H20O5 316.3 COC1=CC(=CC(=C1)/C=C/C2=CC(=C(C(=C2)OC)O)OC)OC IC50 ~ 100000 nM Poor binder T25258 Multidrug resistance protein 1 BZQU73 (3R,4S)-3-Hydroxy-4-[methyl(benzyloxycarbonyl)amino]-5-phenylpentanoic acid methyl ester Investigative 44286259 C21H25NO5 371.4 CN([C@@H](CC1=CC=CC=C1)[C@@H](CC(=O)OC)O)C(=O)OCC2=CC=CC=C2 IC50 ~ 89000 nM Poor binder T25258 Multidrug resistance protein 1 D04TQF 1-(benzyloxy)-2-[2-(3-methoxyphenyl)ethyl]benzene Investigative 11973927 C22H22O2 318.4 COC1=CC=CC(=C1)CCC2=CC=CC=C2OCC3=CC=CC=C3 EC50 = 92800 nM Poor binder T25258 Multidrug resistance protein 1 D0A7AK 3-{[2-(2-phenylethyl)phenoxy]methyl}pyridine Investigative 11973810 C20H19NO 289.4 C1=CC=C(C=C1)CCC2=CC=CC=C2OCC3=CN=CC=C3 EC50 = 125000 nM Poor binder T25258 Multidrug resistance protein 1 D0AZ0Y 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol Investigative 11514345 C16H12O3 252.26 C1=CC2=C(C=CC(=C2)O)C=C1C3=CC(=CC(=C3)O)O IC50 = 53000 nM Poor binder T25258 Multidrug resistance protein 1 D0F4KU Adriamycin Investigative 443939 C27H30ClNO11 580 C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl IC50 = 96910 nM Poor binder T25258 Multidrug resistance protein 1 D0H4YH 4,3'',5''-trimethoxy-[1,1':3',1'']-terphenyl Investigative 11594901 C21H20O3 320.4 COC1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC(=CC(=C3)OC)OC IC50 = 80000 nM Poor binder T25258 Multidrug resistance protein 1 D0RQ8R 2-{[2-(2-phenylethyl)phenoxy]methyl}pyridine Investigative 11973809 C20H19NO 289.4 C1=CC=C(C=C1)CCC2=CC=CC=C2OCC3=CC=CC=N3 EC50 = 100000 nM Poor binder T25258 Multidrug resistance protein 1 D0UK7Z Emetine hydrochloride Investigative 10219 C29H40N2O4 480.6 CC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)OC)OC)OC)OC IC50 = 115600 nM Poor binder