TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T98896	Aggrecanase	B0EY5P	5-(3-(3,5-Dichlorophenoxy)benzylidene)imidazolidine-2,4-dione	Investigative	44425403	C16H10Cl2N2O3	349.2	C1=CC(=CC(=C1)OC2=CC(=CC(=C2)Cl)Cl)/C=C/3\\C(=O)NC(=O)N3	IC50 ~ 67000 nM	Poor binder
T98896	Aggrecanase	B0JZW7	5-(3,4-Bis(benzyloxy)benzylidene)-3-ethyl-2-thioxothiazolidin-4-one	Investigative	5880744	C26H23NO3S2	461.6	CCN1C(=O)/C(=C\\C2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)/SC1=S	IC50 ~ 67000 nM	Poor binder
T98896	Aggrecanase	B0QWT8	5-(4-Chlorobenzyloxymethyl)-4-(4-phenylbenzyl)-3-(methylmercapto)-4H-[1,2,4]triazole	Investigative	52942928	C23H20ClN3OS	421.9	CSC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3)COC4=CC=C(C=C4)Cl	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	B25ZMH	2-(4-Chlorophenoxy)-N-[3-[(4-phenylphenyl)methyl]-2-sulfanylideneimidazol-1-yl]acetamide	Investigative	73352556	C24H20ClN3O2S	450	C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C=CN(C3=S)NC(=O)COC4=CC=C(C=C4)Cl	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	B2CX5E	2-(4-Chlorophenoxy)-N-[2-[(4-phenylphenyl)methylamino]-2-sulfanylideneethyl]acetamide	Investigative	73349533	C23H21ClN2O2S	424.9	C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=S)CNC(=O)COC3=CC=C(C=C3)Cl	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	B6F3MP	1-Acetamido-3-(4-cyclohexylbutyl)thiourea	Investigative	73346501	C13H25N3OS	271.42	CC(=O)NNC(=S)NCCCCC1CCCCC1	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	B7GZ9W	Potassium;5-(6-chloro-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-4-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-thiolate	Investigative	52948198	C23H18ClKN4OS	473	C1C(OC2=C(N1)C=C(C=C2)Cl)C3=NN=C(N3CC4=CC=C(C=C4)C5=CC=CC=C5)[S-].[K+]	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	B93LUE	5-(3,4-Bis(benzyloxy)benzylidene)-3-methyl-2-thioxothiazolidin-4-one	Investigative	44425406	C25H21NO3S2	447.6	CN1C(=O)/C(=C\\C2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)/SC1=S	IC50 ~ 67000 nM	Poor binder
T98896	Aggrecanase	B96RNW	5-(3-(4-Tert-butylphenoxy)benzylidene)imidazolidine-2,4-dione	Investigative	44425404	C20H20N2O3	336.4	CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)/C=C/3\\C(=O)NC(=O)N3	IC50 ~ 67000 nM	Poor binder
T98896	Aggrecanase	B9EHZ0	1-(4-Cyclohexylbutyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]thiourea	Investigative	73346504	C20H31N3O3S	393.5	COC1=CC=C(C=C1)OCC(=O)NNC(=S)NCCCCC2CCCCC2	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	B9M8QR	(4S)-4-[(4-Phenylbenzoyl)amino]-4-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]butanoic acid	Investigative	56663282	C27H25N3O4	455.5	C1=CC=C(C=C1)CCC2=NN=C(O2)[C@H](CCC(=O)O)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4	IC50 = 57300 nM	Poor binder
T98896	Aggrecanase	BA0H4O	5-(3,4-Bis(benzyloxy)benzylidene)-3-phenethyl-2-thioxothiazolidin-4-one	Investigative	44425409	C32H27NO3S2	537.7	C1=CC=C(C=C1)CCN2C(=O)/C(=C\\C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)/SC2=S	IC50 ~ 67000 nM	Poor binder
T98896	Aggrecanase	BAJ7T2	5-(3-(4-Chlorophenoxy)benzylidene)imidazolidine-2,4-dione	Investigative	44425402	C16H11ClN2O3	314.72	C1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)/C=C/3\\C(=O)NC(=O)N3	IC50 ~ 67000 nM	Poor binder
T98896	Aggrecanase	BB12EM	1-[[2-(4-Chlorophenoxy)acetyl]-methylamino]-3-[(4-phenylphenyl)methyl]thiourea	Investigative	73347990	C23H22ClN3O2S	440	CN(C(=O)COC1=CC=C(C=C1)Cl)NC(=S)NCC2=CC=C(C=C2)C3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BB1H7S	5-(3,4-Bis(benzyloxy)benzylidene)-3-benzyl-2-thioxothiazolidin-4-one	Investigative	44425408	C31H25NO3S2	523.7	C1=CC=C(C=C1)CN2C(=O)/C(=C\\C3=CC(=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)/SC2=S	IC50 ~ 67000 nM	Poor binder
T98896	Aggrecanase	BCYQ92	1-[[2-(4-Chlorophenoxy)acetyl]-methylamino]-3-(4-cyclohexylbutyl)thiourea	Investigative	73357123	C20H30ClN3O2S	412	CN(C(=O)COC1=CC=C(C=C1)Cl)NC(=S)NCCCCC2CCCCC2	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BF3L4J	5-(3,4-Bis(benzyloxy)benzylidene)-3-phenyl-2-thioxothiazolidin-4-one	Investigative	44425407	C30H23NO3S2	509.6	C1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=C/3\\C(=O)N(C(=S)S3)C4=CC=CC=C4)OCC5=CC=CC=C5	IC50 ~ 67000 nM	Poor binder
T98896	Aggrecanase	BF7BP9	1-[[2-(4-Chlorophenoxy)acetyl]amino]-3-(pyridin-3-ylmethyl)thiourea	Investigative	73346506	C15H15ClN4O2S	350.8	C1=CC(=CN=C1)CNC(=S)NNC(=O)COC2=CC=C(C=C2)Cl	IC50 = 100000 nM	Poor binder
T98896	Aggrecanase	BG42JY	Potassium;4-[(2-phenylphenyl)methyl]-5-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-thiolate	Investigative	52943340	C28H22KN3S	471.7	C1=CC=C(C=C1)C2=CC=C(C=C2)CC3=NN=C(N3CC4=CC=CC=C4C5=CC=CC=C5)[S-].[K+]	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BH8FR4	1-[[2-(4-Phenylphenoxy)acetyl]amino]-3-[(4-phenylphenyl)methyl]thiourea	Investigative	73347991	C28H25N3O2S	467.6	C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=S)NNC(=O)COC3=CC=C(C=C3)C4=CC=CC=C4	IC50 = 60000 nM	Poor binder
T98896	Aggrecanase	BHO1N9	Potassium;4-(3-imidazol-1-ylpropyl)-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-triazole-3-thiolate	Investigative	52949371	C18H18KN7OS	419.5	C1=CC=C(C=C1)C2=NOC(=N2)CCC3=NN=C(N3CCCN4C=CN=C4)[S-].[K+]	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BHWZ98	1-(4-Cyclohexylbutyl)-3-[(2-phenoxyacetyl)amino]thiourea	Investigative	73351093	C19H29N3O2S	363.5	C1CCC(CC1)CCCCNC(=S)NNC(=O)COC2=CC=CC=C2	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BKAC07	Potassium;4-benzyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiolate	Investigative	52945886	C16H13ClKN3OS	369.9	C1=CC=C(C=C1)CN2C(=NN=C2[S-])COC3=CC=C(C=C3)Cl.[K+]	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BKSY09	5-(4-Chlorobenzyloxymethyl)-4-(2-phenylbenzyl)-3-(methylmercapto)-4H-[1,2,4]triazole	Investigative	52949467	C23H20ClN3OS	421.9	CSC1=NN=C(N1CC2=CC=CC=C2C3=CC=CC=C3)COC4=CC=C(C=C4)Cl	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BO1R6Z	Potassium;5-[(4-chlorophenoxy)methyl]-4-(2-phenylethyl)-1,2,4-triazole-3-thiolate	Investigative	52944638	C17H15ClKN3OS	383.9	C1=CC=C(C=C1)CCN2C(=NN=C2[S-])COC3=CC=C(C=C3)Cl.[K+]	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BR3EH5	Potassium;5-[(4-chlorophenoxy)methyl]-4-(3-phenylpropyl)-1,2,4-triazole-3-thiolate	Investigative	52942249	C18H17ClKN3OS	398	C1=CC=C(C=C1)CCCN2C(=NN=C2[S-])COC3=CC=C(C=C3)Cl.[K+]	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BUV59E	Potassium;5-[(4-fluorophenoxy)methyl]-4-[(4-phenylphenyl)methyl]-1,2,4-triazole-3-thiolate	Investigative	52942214	C22H17FKN3OS	429.6	C1=CC=C(C=C1)C2=CC=C(C=C2)CN3C(=NN=C3[S-])COC4=CC=C(C=C4)F.[K+]	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BW7CR2	1-[[2-(4-Fluorophenoxy)acetyl]amino]-3-[(4-phenylphenyl)methyl]thiourea	Investigative	73357128	C22H20FN3O2S	409.5	C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=S)NNC(=O)COC3=CC=C(C=C3)F	IC50 = 100000 nM	Poor binder
T98896	Aggrecanase	BY2M8O	3-(4-Butoxyphenylamino)-4-(hydroxy(isopropyl)amino)cyclobut-3-ene-1,2-dione	Investigative	44580390	C17H22N2O4	318.4	CCCCOC1=CC=C(C=C1)NC2=C(C(=O)C2=O)N(C(C)C)O	IC50 ~ 100000 nM	Poor binder
T98896	Aggrecanase	BYL85F	5-[[4-(3-Imidazol-1-ylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-3-phenyl-1,2,4-oxadiazole	Investigative	52940878	C18H19N7OS	381.5	CSC1=NN=C(N1CCCN2C=CN=C2)CC3=NC(=NO3)C4=CC=CC=C4	IC50 ~ 100000 nM	Poor binder