TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T95302 Melanocortin receptor 5 B0HN7X N-(3-Aminopropyl)-1H-indole-3-methanamine Investigative 44265489 C12H17N3 203.28 C1=CC=C2C(=C1)C(=CN2)CNCCCN Ki = 150000 nM Poor binder T95302 Melanocortin receptor 5 B1KU8L (R)-2-Amino-N-(5-aminopentyl)-N-benzyl-3-(4-nitrophenyl)propanamide Investigative 44434659 C21H28N4O3 384.5 C1=CC=C(C=C1)CN(CCCCCN)C(=O)[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])N Ki = 102000 nM Poor binder T95302 Melanocortin receptor 5 B2TNJ4 N-[(2R)-3-(4-Chlorophenyl)-1-(4-cyclohexyl-4-oxidopiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Investigative 44393430 C29H37ClN4O3 525.1 C1CCC(CC1)[N+]2(CCN(CC2)C(=O)[C@@H](CC3=CC=C(C=C3)Cl)NC(=O)C4CC5=CC=CC=C5CN4)[O-] Ki = 102000 nM Poor binder T95302 Melanocortin receptor 5 B36BPE 4-(2-Naphthylmethyl)-1-piperazinecarboxamidine Investigative 44265479 C16H20N4 268.36 C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C(=N)N Ki = 74000 nM Poor binder T95302 Melanocortin receptor 5 B3AQ9G N-(3-Aminopropyl)-N-(1-(benzo[b]thiophen-3-yl)ethyl)-4-(1H-indol-3-yl)butanamide Investigative 44434595 C25H29N3OS 419.6 CC(C1=CSC2=CC=CC=C21)N(CCCN)C(=O)CCCC3=CNC4=CC=CC=C43 Ki = 55000 nM Poor binder T95302 Melanocortin receptor 5 B3C0MX Nalpha-(2-Naphthylmethyl)-L-Arg-L-Trp-NH2 Investigative 44265589 C28H33N7O2 499.6 C1=CC=C2C=C(C=CC2=C1)CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N Ki = 74000 nM Poor binder T95302 Melanocortin receptor 5 B3FQ0J N-(4-Aminobutyl)-N2-(2-naphthylmethyl)-N6-(1H-indole-3-ylmethyl)-L-lysinamide Investigative 44265315 C30H39N5O 485.7 C1=CC=C2C=C(C=CC2=C1)CN[C@@H](CCCCNCC3=CNC4=CC=CC=C43)C(=O)NCCCCN Ki = 173000 nM Poor binder T95302 Melanocortin receptor 5 B3GU7S (R)-2-[(1H-Indol-3-ylmethyl)-amino]-3-naphthalen-2-yl-propionamide Investigative 44265719 C22H21N3O 343.4 C1=CC=C2C=C(C=CC2=C1)C[C@H](C(=O)N)NCC3=CNC4=CC=CC=C43 Ki = 95000 nM Poor binder T95302 Melanocortin receptor 5 B4H8VB (E)-N-(3-Aminopropyl)-2-(1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)-2-oxoacetamide Investigative 10134057 C23H25N3O2 375.5 C/C(=C\\C1=CC=CC=C1)/CN(CCCN)C(=O)C(=O)C2=CNC3=CC=CC=C32 Ki = 58000 nM Poor binder T95302 Melanocortin receptor 5 B4UD2E CID 137639140 Investigative 137639140 C165H268N52O51S6 3989 C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)CNC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)N)O EC50 ~ 100000 nM Poor binder T95302 Melanocortin receptor 5 B58VZA (S)-2-[(1H-Indol-3-ylmethyl)-amino]-3-naphthalen-2-yl-propionamide Investigative 44265708 C22H21N3O 343.4 C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)N)NCC3=CNC4=CC=CC=C43 Ki = 60000 nM Poor binder T95302 Melanocortin receptor 5 B5UK7N (E)-N-(3-Aminopropyl)-N-(2-methyl-3-phenylallyl)-4-(thiophen-2-yl)butanamide Investigative 44434605 C21H28N2OS 356.5 C/C(=C\\C1=CC=CC=C1)/CN(CCCN)C(=O)CCCC2=CC=CS2 Ki = 91000 nM Poor binder T95302 Melanocortin receptor 5 B6HJ5N Ac-c[Cys-Glu-Pro-D-Nal(2'')-Arg-Trp-Cys]-Pro-Pro-Lys-Asp-NH2 Investigative 44348183 C71H96N16O16S2 1493.8 CC(=O)[C@@H]1CSSC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC1=O)CCC(=O)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)C(=O)N7CCC[C@H]7C(=O)CN8CCC[C@H]8C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(=O)N IC50 = 97000 nM Poor binder T95302 Melanocortin receptor 5 B74TQY N-(2-Chlorobenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide Investigative 44434761 C39H48ClN3O2 626.3 C1CC(CCC1CC2CCC(CC2)N(CC3=CC=CC=C3Cl)C(=O)CCCC4=C(NC5=CC=CC=C54)CC6=CC=C(C=C6)O)N Ki = 97000 nM Poor binder T95302 Melanocortin receptor 5 B89YFE (Z)-N-(4-Aminobutyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide Investigative 44434633 C25H30ClN3O 424 C1=CC=C(C=C1)/C=C(/CN(CCCCN)C(=O)CCCC2=CNC3=CC=CC=C32)\\Cl Ki = 85000 nM Poor binder T95302 Melanocortin receptor 5 B9WVE8 (3S)-3-Amino-4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1R,6aR,7S,10S,13S,16S,19S,22S,25S,31S,34S,37S,43S,46S,49S,55S,58S,61R,66R,69S,72S,75S,84S,88R,90S,93S,96S,99S)-19,37,49-tris(4-aminobutyl)-13,58-bis(2-amino-2-oxoethyl)-25,72-bis(3-amino-3-oxopropyl)-84-benzyl-93-(3-carbamimidamidopropyl)-46-(carboxymethyl)-6a-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]-16,31-bis[(1R)-1-hydroxyethyl]-10,96,99-tris(hydroxymethyl)-75-(1H-imidazol-5-ylmethyl)-22,69,90-tris(2-methylpropyl)-a,2,8,8a,11,14,17,20,23,26,29,32,35,38,44,47,50,56,59,67,70,73,76,79,82,85,87,91,94,97-triacontaoxo-3a,4a,10a,11a,63,64-hexathia-1a,3,7a,9,12,15,18,21,24,27,30,33,36,39,45,48,51,57,60,68,71,74,77,80,83,86,89,92,95,98-triacontazahexacyclo[59.40.7.434,88.03,7.039,43.051,55]dodecahectan-66-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid Investigative 137634090 C165H262N52O51S6 3983 C[C@H]([C@H]1C(=O)N[C@@H]2CSSC[C@H]3C(=O)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N4CCC[C@H]4C(=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)NCC(=O)N1)CCC(=O)N)CC(C)C)CCCCN)[C@@H](C)O)CC(=O)N)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N3)CC(C)C)CCCNC(=N)N)CO)CO)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6CCCN6C(=O)[C@@H](NC2=O)CCCCN)CC(=O)O)CCCCN)CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)O)N)CC(C)C)CCC(=O)N)CC8=CN=CN8)CC9=CC=CC=C9)O EC50 ~ 100000 nM Poor binder T95302 Melanocortin receptor 5 BCPY81 N-(4-((4-Aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)butanamide Investigative 44434759 C31H42N4O 486.7 C1CC(CCC1CC2CCC(CC2)N(CC3=CC=NC=C3)C(=O)CCCC4=CNC5=CC=CC=C54)N Ki = 96000 nM Poor binder T95302 Melanocortin receptor 5 BCZG01 N-(4-(Methylthio)benzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide Investigative 44434699 C33H45N3OS 531.8 CSC1=CC=C(C=C1)CN(C2CCC(CC2)CC3CCC(CC3)N)C(=O)CCCC4=CNC5=CC=CC=C54 Ki = 85000 nM Poor binder T95302 Melanocortin receptor 5 BD23CF (S)-5-Guanidino-2-[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-pentanoic acid amide Investigative 44265590 C17H27N5O 317.4 C1CC2=CC=CC=C2CC1CN[C@@H](CCCN=C(N)N)C(=O)N Ki = 130000 nM Poor binder T95302 Melanocortin receptor 5 BDH0P9 N-(2,6-Difluorobenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide Investigative 44434770 C32H41F2N3O 521.7 C1CC(CCC1CC2CCC(CC2)N(CC3=C(C=CC=C3F)F)C(=O)CCCC4=CNC5=CC=CC=C54)N Ki = 83000 nM Poor binder T95302 Melanocortin receptor 5 BH4I2E N-[(2R)-3-(4-Chlorophenyl)-1-(4-oxido-4-phenylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide Investigative 44393450 C29H31ClN4O3 519 C1C[N+](CCN1C(=O)[C@@H](CC2=CC=C(C=C2)Cl)NC(=O)C3CC4=CC=CC=C4CN3)(C5=CC=CC=C5)[O-] Ki = 94000 nM Poor binder T95302 Melanocortin receptor 5 BH5YD6 Nalpha-(2-Naphthylmethyl)-D-Arg-L-Trp-NH2 Investigative 44265591 C28H33N7O2 499.6 C1=CC=C2C=C(C=CC2=C1)CN[C@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N Ki = 56000 nM Poor binder T95302 Melanocortin receptor 5 BIHT70 (E)-N-(3-Aminopropyl)-2-(1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)acetamide Investigative 10155513 C23H27N3O 361.5 C/C(=C\\C1=CC=CC=C1)/CN(CCCN)C(=O)CC2=CNC3=CC=CC=C32 Ki = 89000 nM Poor binder T95302 Melanocortin receptor 5 BM0O9X N2-(2-Naphthylmethyl)-L-ornithine allyl ester Investigative 44265722 C19H24N2O2 312.4 C=CCOC(=O)[C@H](CCCN)NCC1=CC2=CC=CC=C2C=C1 Ki = 200000 nM Poor binder T95302 Melanocortin receptor 5 BN01GI (S)-2-Amino-N-(5-aminopentyl)-N-benzyl-3-(1H-indol-3-yl)propanamide Investigative 44434665 C23H30N4O 378.5 C1=CC=C(C=C1)CN(CCCCCN)C(=O)[C@H](CC2=CNC3=CC=CC=C32)N Ki = 54000 nM Poor binder T95302 Melanocortin receptor 5 BN5Z2V (E)-N-(4-Aminobutyl)-2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)acetamide Investigative 44434634 C33H36ClN3O3 558.1 CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)N(CCCCN)C/C(=C/C4=CC=CC=C4)/C Ki = 56000 nM Poor binder T95302 Melanocortin receptor 5 BPNU43 (R)-2-Amino-N-(5-aminopentyl)-N-benzyl-3-(1H-indol-3-yl)propanamide Investigative 44434664 C23H30N4O 378.5 C1=CC=C(C=C1)CN(CCCCCN)C(=O)[C@@H](CC2=CNC3=CC=CC=C32)N Ki = 159000 nM Poor binder T95302 Melanocortin receptor 5 BQ0O5R CID 137659949 Investigative 137659949 C167H256N48O50S6 3929 CC[C@H](C)[C@H]1C(=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)NCC(=O)N[C@H](C(=O)N[C@H]2CSSC[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N3)CCC(=O)O)CO)CO)C(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CC(=O)O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCCN)C)CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)N7CCC[C@H]7C(=O)N1)C)CO)CC8=CC=C(C=C8)O)CC(C)C)[C@@H](C)O)CCC(=O)N)[C@@H](C)CC)CCCCN)[C@@H](C)O)CC9=CC=CC=C9 EC50 ~ 100000 nM Poor binder T95302 Melanocortin receptor 5 BR42DX (R)-5-Guanidino-2-[(naphthalen-2-ylmethyl)-amino]-pentanoic acid amide Investigative 44265675 C17H23N5O 313.4 C1=CC=C2C=C(C=CC2=C1)CN[C@H](CCCN=C(N)N)C(=O)N Ki = 125000 nM Poor binder T95302 Melanocortin receptor 5 BS81IW 1-((1r,4R)-4-Aminocyclohexyl)-3-((1r,4R)-4-(N-benzyl-4-(1H-indol-3-yl)butanamido)cyclohexyl)urea Investigative 44434858 C32H43N5O2 529.7 C1CC(CCC1N)NC(=O)NC2CCC(CC2)N(CC3=CC=CC=C3)C(=O)CCCC4=CNC5=CC=CC=C54 Ki = 176000 nM Poor binder T95302 Melanocortin receptor 5 BSU9D8 N-(1-Naphthylmethyl)-N-(2-naphthylmethyl)amine Investigative 2817655 C22H19N 297.4 C1=CC=C2C=C(C=CC2=C1)CNCC3=CC=CC4=CC=CC=C43 Ki = 100000 nM Poor binder T95302 Melanocortin receptor 5 BSZO64 Nalpha-(1H-Indole-3-ylmethyl)-L-Arg-L-Trp-NH2 Investigative 44265656 C26H32N8O2 488.6 C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N)NC(=O)[C@H](CCCN=C(N)N)NCC3=CNC4=CC=CC=C43 Ki = 184000 nM Poor binder T95302 Melanocortin receptor 5 BVJF16 2-[(1R,4S,7S,13S,16S,19R,22S,25S,28R,31S,37S,40S,46S)-19,46-Dibenzyl-4-[(2S)-butan-2-yl]-16,31-bis(3-carbamimidamidopropyl)-25-[(1R)-1-hydroxyethyl]-22-(1H-imidazol-5-ylmethyl)-13-(1H-indol-3-ylmethyl)-14,17,23-trimethyl-3,6,12,15,18,21,24,27,30,33,36,39,45,48-tetradecaoxo-50,51-dithia-2,5,11,14,17,20,23,26,29,32,35,38,44,47-tetradecazatetracyclo[26.20.4.07,11.040,44]dopentacontan-37-yl]acetic acid Investigative 137646333 C82H113N23O17S2 1757.1 CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[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)N3CCC[C@H]3C(=O)N1)CC4=CNC5=CC=CC=C54)C)CCCNC(=N)N)C)CC6=CC=CC=C6)CC7=CN=CN7)C)[C@@H](C)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C(=O)[C@@H](NC2=O)CC9=CC=CC=C9)CC(=O)O)CCCNC(=N)N IC50 ~ 100000 nM Poor binder T95302 Melanocortin receptor 5 BW5HM6 1-(3-Aminocyclohexyl)-3-((1r,4r)-4-(N-benzyl-4-(1H-indol-3-yl)butanamido)cyclohexyl)urea Investigative 44434859 C32H43N5O2 529.7 C1CC(CC(C1)NC(=O)NC2CCC(CC2)N(CC3=CC=CC=C3)C(=O)CCCC4=CNC5=CC=CC=C54)N Ki = 52000 nM Poor binder T95302 Melanocortin receptor 5 BXH48F N-(4-((4-Aminocyclohexyl)methyl)cyclohexyl)-N-benzyl-4-(1H-indol-3-yl)butanamide Investigative 44434781 C32H43N3O 485.7 C1CC(CCC1CC2CCC(CC2)N(CC3=CC=CC=C3)C(=O)CCCC4=CNC5=CC=CC=C54)N Ki = 105000 nM Poor binder T95302 Melanocortin receptor 5 BY04UD CID 137651025 Investigative 137651025 C167H263N49O49S6 3934 CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC6=CN=CN6)NC(=O)[C@H](CC(=O)O)N EC50 ~ 100000 nM Poor binder T95302 Melanocortin receptor 5 BYF5B1 N-(2-Aminoethyl)-2-naphthalenemethanamine Investigative 44265473 C13H16N2 200.28 C1=CC=C2C=C(C=CC2=C1)CNCCN Ki = 83000 nM Poor binder T95302 Melanocortin receptor 5 BYUO85 (2S,4S)-4-Hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-1-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide Investigative 44265713 C21H24N4O2 364.4 C1[C@@H](CN([C@@H]1C(=O)NCCC2=CN=CN2)CC3=CC4=CC=CC=C4C=C3)O Ki = 50000 nM Poor binder T95302 Melanocortin receptor 5 BZYD45 1-(Naphthalen-2-ylmethyl)piperazine Investigative 910537 C15H18N2 226.32 C1CN(CCN1)CC2=CC3=CC=CC=C3C=C2 Ki = 141000 nM Poor binder