TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T03963	Heat shock protein 90 beta	D08IBS	Adenine	Approved	190	C5H5N5	135.13	C1=NC2=NC=NC(=C2N1)N	IC50 > 4000000 nM	Non binder
T03963	Heat shock protein 90 beta	D0Q0PR	Novobiocin	Approved	54675769	C31H36N2O11	612.6	.	IC50 = 231000 nM	Non binder
T03963	Heat shock protein 90 alpha	D02LMZ	ATPase	Phase 2	5957	C10H16N5O13P3	507.18	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	IC50 = 861330 nM	Non binder
T03963	Heat shock protein 90 beta	D02LMZ	ATPase	Phase 2	5957	C10H16N5O13P3	507.18	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N	IC50 = 893677 nM	Non binder
T03963	Heat shock protein 90 beta	B07XFH	4-Methyl-6-(methylthio)-1,3,5-triazin-2-amine	Investigative	214051	C5H8N4S	156.21	CC1=NC(=NC(=N1)SC)N	IC50 = 350000 nM	Non binder
T03963	Heat shock protein 90 beta	B0HJ9N	4-(2,4-Dimethylphenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine	Investigative	71456708	C15H15N3S	269.4	CC1=CC(=C(C=C1)C2=C3C=CNC3=NC(=N2)SC)C	Ki > 200000 nM	Non binder
T03963	Heat shock protein 90 beta	B0LW4N	N-[2-(4,6-Dimethoxy-2-pyrrolidin-1-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]prop-2-enamide	Investigative	76325678	C17H20N6O3S	388.4	COC1=C(C(=NC(=N1)N2CCCC2)OC)SC3=NC=CC(=N3)NC(=O)C=C	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	B10VQK	N-[2-[4,6-Dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]-2-methylprop-2-enamide	Investigative	76314773	C19H25N7OS	399.5	CC1=C(C(=NC(=N1)N2CCN(CC2)C)C)SC3=NC=CC(=N3)NC(=O)C(=C)C	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 alpha	B13NYV	(4S)-4-(5-Ethyl-2,4-dihydroxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one	Investigative	56659880	C20H23NO6	373.4	CCC1=CC(=C(C=C1O)O)[C@@H]2CC(=O)N2C3=CC(=C(C(=C3)OC)OC)OC	IC50 > 200000 nM	Non binder
T03963	Heat shock protein 90 alpha	B21LQE	(4S)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dimethoxyphenyl)azetidin-2-one	Investigative	56670202	C19H19NO5	341.4	COC1=CC(=C(C=C1)[C@@H]2CC(=O)N2C3=CC4=C(C=C3)OCCO4)OC	IC50 > 200000 nM	Non binder
T03963	Heat shock protein 90 beta	B2AE8R	N-[2-[4,6-Dimethoxy-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]prop-2-enamide	Investigative	66973853	C18H23N7O3S	417.5	CN1CCN(CC1)C2=NC(=C(C(=N2)OC)SC3=NC=CC(=N3)NC(=O)C=C)OC	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	B2V0AW	N-[6-Amino-2-(4,6-dimethoxy-2-piperidin-1-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]prop-2-enamide	Investigative	76329241	C18H23N7O3S	417.5	COC1=C(C(=NC(=N1)N2CCCCC2)OC)SC3=NC(=CC(=N3)NC(=O)C=C)N	IC50 > 250000 nM	Non binder
T03963	Heat shock protein 90 beta	B3OR5G	N-[6-Amino-2-(2-amino-4,6-dimethoxypyrimidin-5-yl)sulfanylpyrimidin-4-yl]prop-2-enamide	Investigative	76318374	C13H15N7O3S	349.37	COC1=C(C(=NC(=N1)N)OC)SC2=NC(=CC(=N2)NC(=O)C=C)N	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	B3UZ5V	[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] cyclopropanecarboxylate	Investigative	90656425	C19H18O7	358.3	C1CC1C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O	IC50 = 410000 nM	Non binder
T03963	Heat shock protein 90 beta	B4KT2S	4-(2-Methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzonitrile	Investigative	71458551	C14H10N4S	266.32	CSC1=NC(=C2C=CNC2=N1)C3=CC=C(C=C3)C#N	Ki > 200000 nM	Non binder
T03963	Heat shock protein 90 beta	B6CP2I	5-Bromo-4-(2,4-dimethyl-phenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine	Investigative	24875483	C15H14BrN3S	348.3	CC1=CC(=C(C=C1)C2=C3C(=CNC3=NC(=N2)SC)Br)C	Ki > 200000 nM	Non binder
T03963	Heat shock protein 90 alpha	B6H4IT	8-((2,4-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11349446	C16H13Cl2N5S	378.3	C#CCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C(C=C3)Cl)Cl)N	IC50 > 300000 nM	Non binder
T03963	Heat shock protein 90 beta	B6H4IT	8-((2,4-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11349446	C16H13Cl2N5S	378.3	C#CCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C(C=C3)Cl)Cl)N	IC50 > 300000 nM	Non binder
T03963	Heat shock protein 90 alpha	B6W1LK	8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11302159	C18H19N5S	337.4	CC1=CC(=C(C=C1)SC2=NC3=C(N=CN=C3N2CCCC#C)N)C	IC50 > 300000 nM	Non binder
T03963	Heat shock protein 90 beta	B6W1LK	8-(2,4-Dimethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11302159	C18H19N5S	337.4	CC1=CC(=C(C=C1)SC2=NC3=C(N=CN=C3N2CCCC#C)N)C	IC50 > 300000 nM	Non binder
T03963	Heat shock protein 90 alpha	B75NEQ	8-((2,5-Dimethylphenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11450570	C18H19N5S	337.4	CC1=CC(=C(C=C1)C)SC2=NC3=C(N=CN=C3N2CCCC#C)N	IC50 > 300000 nM	Non binder
T03963	Heat shock protein 90 beta	B75NEQ	8-((2,5-Dimethylphenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11450570	C18H19N5S	337.4	CC1=CC(=C(C=C1)C)SC2=NC3=C(N=CN=C3N2CCCC#C)N	IC50 > 300000 nM	Non binder
T03963	Heat shock protein 90 beta	B76MZV	N-[2-[4,6-Dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylpyrimidin-4-yl]prop-2-enamide	Investigative	76314772	C18H23N7OS	385.5	CC1=C(C(=NC(=N1)N2CCN(CC2)C)C)SC3=NC=CC(=N3)NC(=O)C=C	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	B7N6WI	CID 68381039	Investigative	68381039	C25H38N8O7S	594.7	CN1CCN(CC1)C2=NC(=C(C(=N2)OCCOCCOCCOCCO)SC3=NC(=CC(=N3)NC(=O)C=C)N)OC	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 alpha	B7QX1Z	9-(Pent-4-yn-1-yl)-8-((2,4,5-trichlorophenyl)thio)-9H-purin-6-amine	Investigative	11223683	C16H12Cl3N5S	412.7	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC(=C(C=C3Cl)Cl)Cl)N	IC50 > 200000 nM	Non binder
T03963	Heat shock protein 90 beta	B7QX1Z	9-(Pent-4-yn-1-yl)-8-((2,4,5-trichlorophenyl)thio)-9H-purin-6-amine	Investigative	11223683	C16H12Cl3N5S	412.7	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC(=C(C=C3Cl)Cl)Cl)N	IC50 > 200000 nM	Non binder
T03963	Heat shock protein 90 alpha	B85PWC	8-(Mesitylthio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	71660550	C19H21N5S	351.5	CC1=CC(=C(C(=C1)C)SC2=NC3=C(N=CN=C3N2CCCC#C)N)C	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	B85PWC	8-(Mesitylthio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	71660550	C19H21N5S	351.5	CC1=CC(=C(C(=C1)C)SC2=NC3=C(N=CN=C3N2CCCC#C)N)C	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	B8WJ2V	[(2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-hydroxycyclohexane-1-carboxylate	Investigative	90656421	C22H24O8	416.4	C1CC(CCC1C(=O)O[C@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O)O	IC50 = 280000 nM	Non binder
T03963	Heat shock protein 90 beta	BB8OE9	Methyl 3,5-dihydroxyphenylacetate	Investigative	579787	C9H10O4	182.17	COC(=O)CC1=CC(=CC(=C1)O)O	IC50 = 490000 nM	Non binder
T03963	Heat shock protein 90 beta	BBO74R	4-(4-Fluoro-2-methylphenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide	Investigative	24876030	C15H13FN4OS	316.4	CC1=C(C=CC(=C1)F)C2=C3C(=CNC3=NC(=N2)SC)C(=O)N	Ki > 200000 nM	Non binder
T03963	Heat shock protein 90 alpha	BBP83L	8-((3,5-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11406285	C16H13Cl2N5S	378.3	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	BBP83L	8-((3,5-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11406285	C16H13Cl2N5S	378.3	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	BC81VP	N-[6-Amino-2-[[4,6-dimethoxy-2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]thio]-4-pyrimidinyl]-2-propenamid	Investigative	66973894	C18H24N8O3S	432.5	CN1CCN(CC1)C2=NC(=C(C(=N2)OC)SC3=NC(=CC(=N3)NC(=O)C=C)N)OC	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	BC98RG	Pyrimidin-2-amine, 15	Investigative	44220304	C8H12N4OS	212.27	CC1=CC(=NC(=N1)N)SCC(=O)NC	IC50 = 535000 nM	Non binder
T03963	Heat shock protein 90 beta	BCU9B5	4-(4-Fluoro-2-methylphenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine	Investigative	71454925	C14H12FN3S	273.33	CC1=C(C=CC(=C1)F)C2=C3C=CNC3=NC(=N2)SC	Ki > 200000 nM	Non binder
T03963	Heat shock protein 90 alpha	BD7RK1	2-Chloro-9-methyl-9H-purin-6-amine	Investigative	145989	C6H6ClN5	183.6	CN1C=NC2=C(N=C(N=C21)Cl)N	IC50 > 1250000 nM	Non binder
T03963	Heat shock protein 90 alpha	BES3V8	8-((3,5-Dimethylphenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11336657	C18H19N5S	337.4	CC1=CC(=CC(=C1)SC2=NC3=C(N=CN=C3N2CCCC#C)N)C	IC50 > 300000 nM	Non binder
T03963	Heat shock protein 90 beta	BES3V8	8-((3,5-Dimethylphenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11336657	C18H19N5S	337.4	CC1=CC(=CC(=C1)SC2=NC3=C(N=CN=C3N2CCCC#C)N)C	IC50 > 300000 nM	Non binder
T03963	Heat shock protein 90 beta	BES5J2	N-[6-Amino-2-(4,6-diethoxy-2-piperidin-1-ylpyrimidin-5-yl)sulfanylpyrimidin-4-yl]prop-2-enamide	Investigative	76318373	C20H27N7O3S	445.5	CCOC1=C(C(=NC(=N1)N2CCCCC2)OCC)SC3=NC(=CC(=N3)NC(=O)C=C)N	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	BG1RI4	2-Aminobenzamide	Investigative	6942	C7H8N2O	136.15	C1=CC=C(C(=C1)C(=O)N)N	IC50 > 4000000 nM	Non binder
T03963	Heat shock protein 90 alpha	BJ8ZC2	Methyl 3-[(2-methoxyacetyl)amino]-1-(3-methylbutyl)-5-(6-methylhept-5-en-2-ylamino)pyrrolo[2,3-b]pyridine-2-carboxylate	Investigative	45162180	C25H38N4O4	458.6	CC(C)CCN1C(=C(C2=C1N=CC(=C2)NC(C)CCC=C(C)C)NC(=O)COC)C(=O)OC	IC50 = 308500 nM	Non binder
T03963	Heat shock protein 90 beta	BJRP13	Thieno[2,3-d]pyrimidine, 16	Investigative	21781998	C7H7N5OS	209.23	C1=C(SC2=NC(=NC(=C21)N)N)C(=O)N	IC50 = 1250000 nM	Non binder
T03963	Heat shock protein 90 beta	BK26LC	N-[3-(4,6-Dimethoxy-2-morpholin-4-ylpyrimidin-5-yl)sulfanylphenyl]prop-2-enamide	Investigative	76322052	C19H22N4O4S	402.5	COC1=C(C(=NC(=N1)N2CCOCC2)OC)SC3=CC=CC(=C3)NC(=O)C=C	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	BK8SQ3	N-[2-[[2-(4-Methylpiperazino)-4,6-diethoxypyrimidine-5-yl]thio]-6-aminopyrimidine-4-yl]acrylamide	Investigative	66973803	C20H28N8O3S	460.6	CCOC1=C(C(=NC(=N1)N2CCN(CC2)C)OCC)SC3=NC(=CC(=N3)NC(=O)C=C)N	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 alpha	BKSW27	(4S)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethoxyphenyl)azetidin-2-one	Investigative	56683692	C19H19NO5	341.4	COC1=CC(=C(C=C1)OC)[C@@H]2CC(=O)N2C3=CC4=C(C=C3)OCCO4	IC50 > 200000 nM	Non binder
T03963	Heat shock protein 90 alpha	BO5ZX2	8-[(2,4-Dimethylphenyl)sulfanyl]-3-Pent-4-Yn-1-Yl-3h-Purin-6-Amine	Investigative	136236968	C18H19N5S	337.4	CC1=CC(=C(C=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCC#C)C	IC50 > 250000 nM	Non binder
T03963	Heat shock protein 90 beta	BP2BV9	[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-hydroxycyclohexane-1-carboxylate	Investigative	90656424	C22H24O8	416.4	C1CC(CCC1C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O)O	IC50 = 310000 nM	Non binder
T03963	Heat shock protein 90 alpha	BRW7Q8	(4S)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-(2,4-dihydroxyphenyl)azetidin-2-one	Investigative	56670203	C17H15NO5	313.3	C1COC2=C(O1)C=CC(=C2)N3[C@@H](CC3=O)C4=C(C=C(C=C4)O)O	IC50 > 200000 nM	Non binder
T03963	Heat shock protein 90 alpha	BRXL80	(4S)-4-(5-Ethyl-2,4-dihydroxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one	Investigative	56663339	C18H19NO4	313.3	CCC1=CC(=C(C=C1O)O)[C@@H]2CC(=O)N2C3=CC=C(C=C3)OC	IC50 > 200000 nM	Non binder
T03963	Heat shock protein 90 beta	BS20AC	CID 66973895	Investigative	66973895	C25H38N8O7S	594.7	COC1=C(C(=NC(=N1)N2CCN(CC2)CCOCCOCCOCCO)OC)SC3=NC(=CC(=N3)NC(=O)C=C)N	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	BS56TQ	4-(2,4-Dimethylphenyl)-5-methyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine	Investigative	24875570	C16H17N3S	283.4	CC1=CC(=C(C=C1)C2=C3C(=CNC3=NC(=N2)SC)C)C	Ki > 200000 nM	Non binder
T03963	Heat shock protein 90 alpha	BSVO31	(3R,4S)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-4-(5-ethyl-2,4-dihydroxyphenyl)-3-phenylazetidin-2-one	Investigative	56677032	C25H23NO5	417.5	CCC1=CC(=C(C=C1O)O)[C@@H]2[C@H](C(=O)N2C3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5	IC50 > 200000 nM	Non binder
T03963	Heat shock protein 90 beta	BWDL43	2',4'-Dihydroxypropiophenone	Investigative	79856	C9H10O3	166.17	CCC(=O)C1=C(C=C(C=C1)O)O	IC50 = 570000 nM	Non binder
T03963	Heat shock protein 90 alpha	BY49JK	4-[8-(2,4-Dimethylphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934958	C17H18N6S	338.4	CC1=CC(=C(C=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)C	IC50 > 250000 nM	Non binder
T03963	Heat shock protein 90 beta	BY49JK	4-[8-(2,4-Dimethylphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934958	C17H18N6S	338.4	CC1=CC(=C(C=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)C	IC50 > 250000 nM	Non binder
T03963	Heat shock protein 90 alpha	BZ1C5J	(4S)-1-(1,3-Benzodioxol-5-yl)-4-(5-ethyl-2,4-dihydroxyphenyl)azetidin-2-one	Investigative	56659879	C18H17NO5	327.3	CCC1=CC(=C(C=C1O)O)[C@@H]2CC(=O)N2C3=CC4=C(C=C3)OCO4	IC50 > 200000 nM	Non binder
T03963	Heat shock protein 90 alpha	BZ5C2G	4-[8-(2,4-Dichlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934957	C15H12Cl2N6S	379.3	C1=CC(=C(C=C1Cl)Cl)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	BZ5C2G	4-[8-(2,4-Dichlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934957	C15H12Cl2N6S	379.3	C1=CC(=C(C=C1Cl)Cl)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 > 500000 nM	Non binder
T03963	Heat shock protein 90 beta	D08CZD	4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine	Investigative	3777900	C8H13N3O2	183.21	CC1=CC(=NC(=N1)N)OCCOC	IC50 > 4000000 nM	Non binder