TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T20973	Cyclin-dependent kinase 5	D0A3MV	AR-A014418	Patented	448014	C12H12N4O4S	308.32	COC1=CC=C(C=C1)CNC(=O)NC2=NC=C(S2)[N+](=O)[O-]	IC50 = 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B05YHM	3-(3,4-Dimethoxyphenyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-8-one	Investigative	25268198	C17H15N3O3	309.32	COC1=C(C=C(C=C1)C2=CNC3=C2N4C=CC=C4C(=O)N3)OC	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B0CVG2	2,6,9-Trisubstituted purine deriv. 8	Investigative	6538913	C15H22N6O	302.37	CC(C)N1C=NC2=C1N=C(N=C2N3CCC=CC3)NCCO	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B1LV0O	2-(1,3-Benzodioxol-5-yl)-5-[[4-(4-methoxyphenyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole	Investigative	71578445	C23H18N2O4S	418.5	COC1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B1M8JT	2,6,9-Trisubstituted purine deriv. 25	Investigative	6538930	C24H26N6O	414.5	C1C[C@@H](N(C1)C2=NC(=C3C(=N2)N(C=N3)CC4=CC=CC=C4)NCC5=CC=CC=C5)CO	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B1XKE7	CID 71578744	Investigative	71578744	C17H13N5O2S	351.4	CC(=O)NC1=NC=CC(=C1)C2=NN=C(O2)SCC3=CC(=CC=C3)C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B2TDR1	2-(1,3-Benzodioxol-5-yl)-5-[[4-(3,5-difluorophenyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole	Investigative	71578446	C22H14F2N2O3S	424.4	C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC(=CC(=C5)F)F	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B32SOY	5-Chloro-1-trimethylsilanyl-3,3a,4,5-tetrahydro-2H-cyclopenta[c]acridin-2-one	Investigative	44197392	C19H20ClNOSi	341.9	C[Si](C)(C)C1=C2C(CC(C3=CC4=CC=CC=C4N=C32)Cl)CC1=O	IC50 = 63000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B3V9PA	2-[[4-(4-Methoxyphenyl)phenyl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole	Investigative	71212403	C21H17N3O2S	375.4	COC1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NN=C(O3)C4=CC=NC=C4	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B4FHT8	2-[[4-(3,5-Difluorophenyl)phenyl]methylsulfanyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazole	Investigative	71212517	C23H16F2N2O3S	438.4	C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC(=CC(=C5)F)F	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B5AST9	N-[4-[5-[[4-(2-Cyanophenyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]pyridin-2-yl]acetamide	Investigative	71578745	C23H17N5O2S	427.5	CC(=O)NC1=NC=CC(=C1)C2=NN=C(O2)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B5IC4A	2,6,9-Trisubstituted purine deriv. 6	Investigative	6538911	C12H18N6O	262.31	CN1C=NC2=C1N=C(N=C2N(C)CC=C)NCCO	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B6J8GD	3-[4-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile	Investigative	71212514	C21H14N4OS	370.4	C1=CC(=CC(=C1)C2=CC=C(C=C2)CSC3=NN=C(O3)C4=CC=NC=C4)C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B6TY8C	5-[3-Fluoro-4-[[6-methoxy-7-(3-morpholinopropoxy)quinolin-4-yl]oxy]phenyl]-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one	Investigative	11858109	C34H33F2N5O5	629.7	CN1C(=O)C(=CN=C1NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OCCCN6CCOCC6)OC)F	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B79YJF	2-[(4-Phenylphenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole	Investigative	24370907	C20H15N3OS	345.4	C1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NN=C(O3)C4=CC=NC=C4	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B7EIV2	2,6,9-Trisubstituted purine deriv. 7	Investigative	6538912	C14H22N6O	290.36	CC(C)N1C=NC2=C1N=C(N=C2N(C)CC=C)NCCO	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B7ORT6	3-(3,4-Dichlorophenyl)-5-oxa-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-8-one	Investigative	25268558	C15H8Cl2N2O2	319.1	C1=CN2C(=C1)C(=O)NC3=C2C(=CO3)C4=CC(=C(C=C4)Cl)Cl	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B7Y3DX	6-Chloro-2-iodo-9-isopropyl-9H-purine	Investigative	6538904	C8H8ClIN4	322.53	CC(C)N1C=NC2=C1N=C(N=C2Cl)I	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B83SIE	3-(3,4-Dimethoxyphenyl)-5-oxa-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-8-one	Investigative	25268559	C17H14N2O4	310.3	COC1=C(C=C(C=C1)C2=COC3=C2N4C=CC=C4C(=O)N3)OC	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B8JVD5	3-(3,4-Dimethoxy-phenyl)-furo[2,3-b]pyrrolizin-8-one	Investigative	11437879	C17H13NO4	295.29	COC1=C(C=C(C=C1)C2=COC3=C2N4C=CC=C4C3=O)OC	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B8W0CK	3-(4-Chlorophenyl)-1,5,7-triazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-8-one	Investigative	25268197	C15H10ClN3O	283.71	C1=CN2C(=C1)C(=O)NC3=C2C(=CN3)C4=CC=C(C=C4)Cl	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B9HKQ6	N-[4-(5-Benzylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl]acetamide	Investigative	71578658	C16H14N4O2S	326.4	CC(=O)NC1=NC=CC(=C1)C2=NN=C(O2)SCC3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	B9OES1	1-(3-(8-(Pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea	Investigative	11755812	C26H20F3N7O	503.5	C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CN4C=CN=C4C(=N3)NCC5=CC=NC=C5	IC50 = 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BCRO12	2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-[[4-(2-nitrophenyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole	Investigative	71578307	C23H17N3O5S	447.5	C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC=CC=C5[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BCY4H7	3-(3-(Benzyloxy)-4-methoxyphenyl)pyrrolo[2,3-b]pyrrolizin-8(1H)-one	Investigative	11245667	C23H18N2O3	370.4	COC1=C(C=C(C=C1)C2=CNC3=C2N4C=CC=C4C3=O)OCC5=CC=CC=C5	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BD9GE4	2-[4-[[5-(1,3-Benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]-5-methoxybenzonitrile	Investigative	71212317	C24H17N3O4S	443.5	COC1=CC(=C(C=C1)C2=CC=C(C=C2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5)C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BEP25N	2-[[4-(2-Nitrophenyl)phenyl]methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole	Investigative	71578447	C20H14N4O3S	390.4	C1=CC=C(C(=C1)C2=CC=C(C=C2)CSC3=NN=C(O3)C4=CC=NC=C4)[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BF5T1N	3-(4-Chlorophenyl)pyrrolo[2,3-b]pyrrolizin-8(1H)-one	Investigative	11380176	C15H9ClN2O	268.7	C1=CN2C(=C1)C(=O)C3=C2C(=CN3)C4=CC=C(C=C4)Cl	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BG1T9K	4-[4-[(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile	Investigative	71212434	C21H14N4OS	370.4	C1=CC(=CC=C1CSC2=NN=C(O2)C3=CC=NC=C3)C4=CC=C(C=C4)C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BG9A5Y	N,9-Dibenzyl-2-iodopurin-6-amine	Investigative	6538910	C19H16IN5	441.3	C1=CC=C(C=C1)CNC2=C3C(=NC(=N2)I)N(C=N3)CC4=CC=CC=C4	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BHTK41	2-[4-[[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]-5-methoxybenzonitrile	Investigative	71212446	C25H19N3O4S	457.5	COC1=CC(=C(C=C1)C2=CC=C(C=C2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCCO5)C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BIO5X9	2-(1,3-Benzodioxol-5-yl)-5-[[4-(3-nitrophenyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole	Investigative	71578375	C22H15N3O5S	433.4	C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC(=CC=C5)[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BK59PQ	2-(1,3-Benzodioxol-5-yl)-5-[[4-(2-nitrophenyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole	Investigative	71578373	C22H15N3O5S	433.4	C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC=CC=C5[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BN9GH1	2,6,9-Trisubstituted purine deriv. 5d	Investigative	6538908	C17H18IN5	419.26	C1CCC(C1)N2C=NC3=C(N=C(N=C32)I)NCC4=CC=CC=C4	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BNW83P	1-(4-Methoxyphenyl)furo[2,3-e]pyrrolo [1,2-a]pyrazin-5(4H)-one	Investigative	25268557	C16H12N2O3	280.28	COC1=CC=C(C=C1)C2=COC3=C2N4C=CC=C4C(=O)N3	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BO02QN	2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-[[4-(4-methoxyphenyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole	Investigative	71212395	C24H20N2O4S	432.5	COC1=CC=C(C=C1)C2=CC=C(C=C2)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCCO5	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BOB6L2	2,6,9-Trisubstituted purine deriv. 5e	Investigative	6538909	C18H20IN5	433.3	C1CCC(CC1)N2C=NC3=C(N=C(N=C32)I)NCC4=CC=CC=C4	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BP7N0G	6-Chloro-9-cyclopentyl-9H-purin-2-ylamine	Investigative	23074669	C10H12ClN5	237.69	C1CCC(C1)N2C=NC3=C2N=C(N=C3Cl)N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BQV6B2	5-Fluoro-2-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile	Investigative	71578520	C21H13FN4OS	388.4	C1=CC(=CC=C1CSC2=NN=C(O2)C3=CC=NC=C3)C4=C(C=C(C=C4)F)C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BRY4J6	N-(2-((3-(Dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-2-fluoro-5-((3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yl)oxy)benzamide	Investigative	16109001	C29H30F4N8O2	598.6	CNC1=NC=NC(=N1)C2=C(N=CC=C2)OC3=CC(=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)N(C)CCCN(C)C	IC50 = 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BS1R6Q	2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-[[4-(3-nitrophenyl)phenyl]methylsulfanyl]-1,3,4-oxadiazole	Investigative	71212337	C23H17N3O5S	447.5	C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC(=CC=C5)[N+](=O)[O-]	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BS84NK	1-(4-Methylphenyl)furo[2,3-e]pyrrolo[1,2-a] pyrazin-5(4H)-one	Investigative	25268556	C16H12N2O2	264.28	CC1=CC=C(C=C1)C2=COC3=C2N4C=CC=C4C(=O)N3	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BSDY31	1-(4-Bromophenyl)furo[2,3-e]pyrrolo[1,2-a] pyrazin-5(4H)-one	Investigative	25268199	C15H9BrN2O2	329.15	C1=CN2C(=C1)C(=O)NC3=C2C(=CO3)C4=CC=C(C=C4)Br	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BTNA47	10-Bromo-11H-indolo[3,2-c]quinoline-6-carboxylic acid	Investigative	122181014	C16H9BrN2O2	341.16	C1=CC=C2C(=C1)C3=C(C4=C(N3)C(=CC=C4)Br)C(=N2)C(=O)O	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BTS9M3	3-[4-[[5-(1,3-Benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]benzonitrile	Investigative	71578374	C23H15N3O3S	413.4	C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC=CC(=C5)C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BWE0H2	3-[4-[[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]benzonitrile	Investigative	71212291	C24H17N3O3S	427.5	C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC=CC(=C5)C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BX80VR	2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-[(4-phenylphenyl)methylsulfanyl]-1,3,4-oxadiazole	Investigative	71212419	C23H18N2O3S	402.5	C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC=CC=C5	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BY06KG	4(3H)-Pyrimidinone,2-[(4-fluorophenyl)amino]-5-[5-[[6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]oxy]-2-pyridinyl]-3-methyl-	Investigative	24769780	C33H33FN6O5	612.6	CN1C(=O)C(=CN=C1NC2=CC=C(C=C2)F)C3=NC=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OCCCN6CCOCC6)OC	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BY4XC8	3-N-[4-(4-Methoxyphenyl)pyrimidin-2-yl]benzene-1,3-diamine	Investigative	137661113	C17H16N4O	292.33	COC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=CC(=C3)N	IC50 = 81000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BY53FQ	1-(4-Fluorophenyl)furo[2,3-e]pyrrolo[1,2-a] pyrazin-5(4H)-one	Investigative	25268555	C15H9FN2O2	268.24	C1=CN2C(=C1)C(=O)NC3=C2C(=CO3)C4=CC=C(C=C4)F	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BYN54B	3-(3,4-Dimethoxyphenyl)pyrrolo[2,3-b]pyrrolizin-8(1H)-one	Investigative	11358339	C17H14N2O3	294.3	COC1=C(C=C(C=C1)C2=CNC3=C2N4C=CC=C4C3=O)OC	IC50 ~ 50000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BZ7G1B	(S)-5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-N-(2-(3-(dimethylamino)piperidin-1-yl)-5-(trifluoromethyl)phenyl)-2-fluorobenzamide	Investigative	16109036	C27H26F4N6O	526.5	CN(C)[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C=CC(=C3)C#CC4=CN=C(N=C4)N)F	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	BZM1D2	4-[4-[[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]benzonitrile	Investigative	71212233	C24H17N3O3S	427.5	C1COC2=C(O1)C=CC(=C2)C3=NN=C(O3)SCC4=CC=C(C=C4)C5=CC=C(C=C5)C#N	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	D07OXC	AM7	Investigative	11650194	C35H35FN4O5	610.7	CN1C(=NC=C(C1=O)C2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OCCCN5CCOCC5)OC)F)CC6=CC=CC=C6	IC50 ~ 100000 nM	Poor binder
T20973	Cyclin-dependent kinase 5	D0R1FT	6-O-Cyclohexylmethyl Guanine	Investigative	4564	C12H17N5O	247.3	C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N	IC50 = 97000 nM	Poor binder