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	D09CKU	PMID26394986-Compound-44	Patented	65064	C22H18O11	458.4	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O	IC50 = 155000 nM	Poor binder
T03963	Heat shock protein 90 alpha	D09BVL	NS-1619	Terminated	4552	C15H8F6N2O2	362.23	C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O	IC50 = 81000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B05KSQ	Nc1ncnc2n(CCCC#C)c(Oc3ccc(Cl)cc3Cl)nc12	Investigative	117889785	C16H13Cl2N5O	362.2	C#CCCCN1C2=NC=NC(=C2N=C1OC3=C(C=C(C=C3)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B07JAL	5-Cyclopropyl-4-(2,4-dimethyl-phenyl)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine	Investigative	24875575	C18H19N3S	309.4	CC1=CC(=C(C=C1)C2=C3C(=CNC3=NC(=N2)SC)C4CC4)C	Ki ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	B0DON7	2-Morpholin-4-yl-6-(2,4,5-trimethoxybenzyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine	Investigative	20960632	C21H28N4O4	400.5	COC1=CC(=C(C=C1CN2CCC3=NC(=NC=C3C2)N4CCOCC4)OC)OC	IC50 = 50900 nM	Poor binder
T03963	Heat shock protein 90 beta	B0IW1S	6-[(4-Fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine	Investigative	20960922	C22H24FN7	405.5	C1CN(CC2=CN=C(N=C21)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=C(C=C5)F	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B0J7SC	[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 4-fluorocyclohexane-1-carboxylate	Investigative	90656422	C22H23FO7	418.4	C1CC(CCC1C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O)F	IC50 = 65000 nM	Poor binder
T03963	Heat shock protein 90 beta	B14CPM	4-(1h-Imidazo[4,5-C]pyridin-2-Yl)fluoren-9-One	Investigative	53393801	C19H11N3O	297.3	C1=CC=C2C(=C1)C3=C(C=CC=C3C2=O)C4=NC5=C(N4)C=NC=C5	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B1DL5N	CCC(CC#C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12	Investigative	117890387	C17H15Cl2N5S	392.3	CCC(CC#C)N1C2=NC=NC(=C2N=C1SC3=C(C=C(C=C3)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B1FQ8V	8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-fluoro-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11751343	C19H19ClFN5O3S	451.9	COC1=CC(=C(C(=C1OC)OC)Cl)SC2=NC3=C(N=C(N=C3N2CCCC#C)F)N	EC50 = 53100 nM	Poor binder
T03963	Heat shock protein 90 beta	B1FU3X	6-[(5-Bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine	Investigative	16028137	C17H22BrN5S	408.4	CN1CCN(CC1)C2=NC=C3CN(CCC3=N2)CC4=CC=C(S4)Br	IC50 = 63200 nM	Poor binder
T03963	Heat shock protein 90 alpha	B1JB9C	Methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate	Investigative	90655142	C10H12N2O4	224.21	CC(=O)N1CCC2=C(C1)C(=NO2)C(=O)OC	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B1W0BU	Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Br)c3)nc12	Investigative	117890494	C16H13BrClN5S	422.7	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Br)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B1W0BU	Nc1ncnc2n(CCCC#C)c(Sc3cc(Cl)cc(Br)c3)nc12	Investigative	117890494	C16H13BrClN5S	422.7	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Br)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B29DVX	CCC(CC#C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12	Investigative	117890174	C17H15Cl2N5S	392.3	CCC(CC#C)N1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B2DSG6	6-[(5-Bromothiophen-2-yl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine	Investigative	20960773	C18H23BrN4S	407.4	CC1CCN(CC1)C2=NC=C3CN(CCC3=N2)CC4=CC=C(S4)Br	IC50 = 87960 nM	Poor binder
T03963	Heat shock protein 90 beta	B2Y0FL	2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,3-benzoate, (2R-trans)-	Investigative	156194	C22H18O7	394.4	C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC=CC=C4	IC50 = 110000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B3BOL6	CCCC(C)n1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12	Investigative	117890346	C16H17Cl2N5S	382.3	CCCC(C)N1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B3CIU4	2-(4-Hydroxycyclohexylamino)-4-(1-(quinolin-3-yl)isoquinolin-5-yl)benzamide	Investigative	57520772	C31H28N4O2	488.6	C1CC(CCC1NC2=C(C=CC(=C2)C3=CC=CC4=C3C=CN=C4C5=CC6=CC=CC=C6N=C5)C(=O)N)O	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B3E9VS	8-(3,5-Dichlorophenyl)sulfanyl-9-pent-4-yn-2-ylpurin-6-amine	Investigative	118737375	C16H13Cl2N5S	378.3	CC(CC#C)N1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B3FJN5	2-[(4-Hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylquinazolin-8-yl)benzamide	Investigative	57520773	C30H27N5O2	489.6	C1CC(CCC1NC2=C(C=CC(=C2)C3=CC=CC4=C3N=CN=C4C5=CC6=CC=CC=C6N=C5)C(=O)N)O	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B3KHM6	Nc1ncnc2n(CCCC#C)c(Sc3ccc(Br)cc3Cl)nc12	Investigative	117890351	C16H13BrClN5S	422.7	C#CCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C(C=C3)Br)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B47PVH	9-Butyl-8-(3,5-dichlorophenyl)sulfanylpurin-6-amine	Investigative	118737376	C15H15Cl2N5S	368.3	CCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B4A2PH	4-[8-(2,4-Dimethoxyphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934959	C17H18N6O2S	370.4	COC1=CC(=C(C=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)OC	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B4A2PH	4-[8-(2,4-Dimethoxyphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934959	C17H18N6O2S	370.4	COC1=CC(=C(C=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)OC	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B4M7UZ	Nc1ncnc2n(CCCC#N)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890354	C15H12Cl2N6S	379.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCCC#N)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	B4M7UZ	Nc1ncnc2n(CCCC#N)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890354	C15H12Cl2N6S	379.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCCC#N)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B4MN5K	Nc1ncnc2n(CCc3ccccc3)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890133	C19H15Cl2N5S	416.3	C1=CC=C(C=C1)CCN2C3=NC=NC(=C3N=C2SC4=CC(=CC(=C4)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	B4MN5K	Nc1ncnc2n(CCc3ccccc3)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890133	C19H15Cl2N5S	416.3	C1=CC=C(C=C1)CCN2C3=NC=NC(=C3N=C2SC4=CC(=CC(=C4)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B4VK7X	2-(4-Hydroxycyclohexylamino)-4-(4-methoxyindol-1-yl)benzamide	Investigative	25051915	C22H25N3O3	379.5	COC1=CC=CC2=C1C=CN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B4VW1F	1-[3-[2-(4-Bromophenoxy)ethoxy]propyl]-4-(2-tert-butylphenyl)piperazine	Investigative	76336318	C25H35BrN2O2	475.5	CC(C)(C)C1=CC=CC=C1N2CCN(CC2)CCCOCCOC3=CC=C(C=C3)Br	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B51PAJ	6-[(5-Bromo-2-thienyl)methyl]-2-(4-ethylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine	Investigative	16028167	C18H24BrN5S	422.4	CCN1CCN(CC1)C2=NC=C3CN(CCC3=N2)CC4=CC=C(S4)Br	IC50 = 74680 nM	Poor binder
T03963	Heat shock protein 90 alpha	B5BO8I	Nc1ncnc2n(CCCC#C)c(Cc3ccc(Cl)cc3Cl)nc12	Investigative	117889984	C17H15Cl2N5	360.2	C#CCCCN1C(=NC2=C(N=CN=C21)N)CC3=C(C=C(C=C3)Cl)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B5OU4E	1-[(3,4,5-Trimethoxyphenyl)-carbonyl]-1H-indazole-5-amine	Investigative	16210774	C17H17N3O4	327.33	COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(C=C(C=C3)N)C=N2	IC50 = 80760 nM	Poor binder
T03963	Heat shock protein 90 alpha	B5UE3G	[(2S)-6-(2-Chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone	Investigative	127024111	C23H19ClN4O3	434.9	C[C@H]1CCC2=C(N1C(=O)C3=C(C=C(C=C3)O)O)C=CC(=C2)C4=C5C=CNC5=NC(=N4)Cl	Ki ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B6BAX3	Chembl4228653	Investigative	145969804	C43H49N11O5S	832	CCNC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=CC(=CC=C3)OCCCCCCOC4=CC=C(C=C4)NC5=NC(=C6C=CNC6=N5)C7=CN(N=C7)CCCCCCC(=O)NO	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B6CTK0	4-[8-(3,5-Dimethylphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136198649	C17H18N6S	338.4	CC1=CC(=CC(=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)C	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B6CTK0	4-[8-(3,5-Dimethylphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136198649	C17H18N6S	338.4	CC1=CC(=CC(=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)C	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B6DU5O	1-(Naphthalen-2-ylmethyl)-4-[4-[1-(naphthalen-2-ylmethyl)triazol-4-yl]butyl]triazole	Investigative	71740605	C30H28N6	472.6	C1=CC=C2C=C(C=CC2=C1)CN3C=C(N=N3)CCCCC4=CN(N=N4)CC5=CC6=CC=CC=C6C=C5	IC50 = 52000 nM	Poor binder
T03963	Heat shock protein 90 beta	B6EC2Z	(2S,8S,11S,19S)-19-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-Acetamido-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-2,8-bis(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicosane-11-carboxylic acid	Investigative	118724476	C95H153N29O27S	2165.5	CC[C@H](C)[C@@H](C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC1=O)CC(C)C)CC(C)C)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)C	IC50 = 121000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B6RN1W	[(2R)-6-(2-Chloro-5-methylpyrimidin-4-yl)-2-pyridin-3-yl-3,4-dihydro-2H-quinolin-1-yl]-(2,4-dihydroxyphenyl)methanone	Investigative	127024644	C26H21ClN4O3	472.9	CC1=CN=C(N=C1C2=CC3=C(C=C2)N([C@H](CC3)C4=CN=CC=C4)C(=O)C5=C(C=C(C=C5)O)O)Cl	Ki ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B6U2SO	US9120780, Comparative Example 5	Investigative	25052089	C23H21N3O2	371.4	CC1=CC2=C(N1C3=CC(=C(C=C3)C(=O)N)NC4=CC=CC=C4)C=CC(=C2)OC	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B6X2AB	4-[6-Imino-8-[2-(trifluoromethoxy)phenyl]sulfanyl-7H-purin-3-yl]butanenitrile	Investigative	136934956	C16H13F3N6OS	394.4	C1=CC=C(C(=C1)OC(F)(F)F)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B6X2AB	4-[6-Imino-8-[2-(trifluoromethoxy)phenyl]sulfanyl-7H-purin-3-yl]butanenitrile	Investigative	136934956	C16H13F3N6OS	394.4	C1=CC=C(C(=C1)OC(F)(F)F)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B78CHN	3-(2,5-Dihydroxyphenyl)-1H-benzimidazol-2-one	Investigative	56662986	C13H10N2O3	242.23	C1=CC=C2C(=C1)NC(=O)N2C3=C(C=CC(=C3)O)O	IC50 = 200000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B7PVU9	Dimethyl 2-[2-(1-benzyl-1H-imidazol-2-yl)ethyl]-4,6-dihydroxybenzene-1,3-dicarboxylate	Investigative	132992912	C22H22N2O6	410.4	COC(=O)C1=C(C(=C(C=C1O)O)C(=O)OC)CCC2=NC=CN2CC3=CC=CC=C3	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B7UM0L	[(2R,3S)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] cyclohexanecarboxylate	Investigative	90656420	C22H24O7	400.4	C1CCC(CC1)C(=O)O[C@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O	IC50 = 98000 nM	Poor binder
T03963	Heat shock protein 90 beta	B7UWG1	(4-Chlorophenyl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone	Investigative	90654951	C22H22ClN7O	435.9	C1CN(CC2=CN=C(N=C21)N3CCN(CC3)C4=NC=CC=N4)C(=O)C5=CC=C(C=C5)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B8DQ6K	(3S)-3-Acetamido-4-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid	Investigative	118724465	C93H154N30O25S	2124.5	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)C	IC50 ~ 160000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B8M4PY	8-(2-Chloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11198704	C16H14ClN5S	343.8	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC=CC=C3Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B8M4PY	8-(2-Chloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11198704	C16H14ClN5S	343.8	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC=CC=C3Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B8U6MG	[(2R,3R)-5,7-Dihydroxy-2-phenyl-3,4-dihydro-2H-chromen-3-yl] benzoate	Investigative	72190987	C22H18O5	362.4	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4	IC50 = 63000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B8YFC0	8-(2-Chloro-5-trifluoromethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11407267	C17H13ClF3N5S	411.8	C#CCCCN1C2=NC=NC(=C2N=C1SC3=C(C=CC(=C3)C(F)(F)F)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B8YFC0	8-(2-Chloro-5-trifluoromethyl-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11407267	C17H13ClF3N5S	411.8	C#CCCCN1C2=NC=NC(=C2N=C1SC3=C(C=CC(=C3)C(F)(F)F)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B9GVT1	8-(4-Chloro-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11427896	C16H14ClN5S	343.8	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC=C(C=C3)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	B9V4JG	8-(2-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11473241	C17H17N5OS	339.4	COC1=CC=CC=C1SC2=NC3=C(N=CN=C3N2CCCC#C)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	B9V4JG	8-(2-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11473241	C17H17N5OS	339.4	COC1=CC=CC=C1SC2=NC3=C(N=CN=C3N2CCCC#C)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BA0G1H	N-[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl]benzamide	Investigative	90656418	C22H19NO7	409.4	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)NC(=O)C4=CC=CC=C4	IC50 = 75000 nM	Poor binder
T03963	Heat shock protein 90 beta	BA63LZ	[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] pyridine-4-carboxylate	Investigative	9931416	C21H17NO8	411.4	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC=NC=C4	IC50 = 64000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BA79UC	CC(C)NCCCn1cnc(N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	136198653	C17H20Cl2N6S	411.4	CC(C)NCCCN1C=NC(=N)C2=C1N=C(N2)SC3=CC(=CC(=C3)Cl)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BA79UC	CC(C)NCCCn1cnc(N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	136198653	C17H20Cl2N6S	411.4	CC(C)NCCCN1C=NC(=N)C2=C1N=C(N2)SC3=CC(=CC(=C3)Cl)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BB25JG	6-[(4-Chlorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine	Investigative	20960921	C22H24ClN7	421.9	C1CN(CC2=CN=C(N=C21)N3CCN(CC3)C4=NC=CC=N4)CC5=CC=C(C=C5)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BBD06T	Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	136198648	C15H12Cl2N6S	379.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BBD06T	Nc1ncn(CCCC#N)c2nc(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	136198648	C15H12Cl2N6S	379.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BBD7I8	3-[2-Hydroxy-5-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one	Investigative	56680021	C14H9F3N2O2	294.23	C1=CC=C2C(=C1)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O	IC50 = 127000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BC8EU0	CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)nccc12	Investigative	117890473	C18H21Cl2N5S	410.4	CC(C)NCCCN1C2=C(C(=NC=C2)N)N=C1SC3=C(C=C(C=C3)Cl)Cl	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BCY6V2	5-N-(5-Chloro-2,4-dihydroxyphenyl)-3-N-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide	Investigative	90655143	C16H17ClN4O5	380.78	CCNC(=O)C1=NOC2=C1CN(CC2)C(=O)NC3=CC(=C(C=C3O)O)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BDF1H9	1-[3-[2-(4-Bromophenoxy)ethoxy]-2-methoxypropyl]-4-(2-tert-butylphenyl)piperazine	Investigative	76318163	C26H37BrN2O3	505.5	CC(C)(C)C1=CC=CC=C1N2CCN(CC2)CC(COCCOC3=CC=C(C=C3)Br)OC	IC50 = 70430 nM	Poor binder
T03963	Heat shock protein 90 beta	BEF87W	[(2R,3S)-5,7-Dihydroxy-2-phenyl-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate	Investigative	88415340	C22H18O8	410.4	C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)O)O)O	IC50 = 150000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BET27B	4-[8-[2-Chloro-5-(trifluoromethyl)phenyl]sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136198647	C16H12ClF3N6S	412.8	C1=CC(=C(C=C1C(F)(F)F)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BET27B	4-[8-[2-Chloro-5-(trifluoromethyl)phenyl]sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136198647	C16H12ClF3N6S	412.8	C1=CC(=C(C=C1C(F)(F)F)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BEV51C	4-[6-Imino-8-(2-methoxyphenyl)sulfanyl-7H-purin-3-yl]butanenitrile	Investigative	136934954	C16H16N6OS	340.4	COC1=CC=CC=C1SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BEV51C	4-[6-Imino-8-(2-methoxyphenyl)sulfanyl-7H-purin-3-yl]butanenitrile	Investigative	136934954	C16H16N6OS	340.4	COC1=CC=CC=C1SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BFI4T3	N-[5-(5-Chloro-2,4-dihydroxyphenyl)-3-(3,3-difluoroazetidine-1-carbonyl)-1,2-oxazol-4-yl]-4-methoxybenzamide	Investigative	135895376	C21H16ClF2N3O6	479.8	COC1=CC=C(C=C1)C(=O)NC2=C(ON=C2C(=O)N3CC(C3)(F)F)C4=CC(=C(C=C4O)O)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BGK4U6	8-(2-Bromo-4,5-dimethoxybenzyl)-2-fluoro-9-(pent-4-ynyl)-9H-purin-6-amine	Investigative	11568559	C19H19BrFN5O2	448.3	COC1=C(C=C(C(=C1)CC2=NC3=C(N=C(N=C3N2CCCC#C)F)N)Br)OC	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	BH4LW8	(4-Fluorophenyl)-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone	Investigative	90654950	C22H22FN7O	419.5	C1CN(CC2=CN=C(N=C21)N3CCN(CC3)C4=NC=CC=N4)C(=O)C5=CC=C(C=C5)F	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BH5F3M	[(2R,3R)-5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-3-yl] 3,4-difluorobenzoate	Investigative	90656417	C22H16F2O8	446.4	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C=C4)F)F	IC50 = 58000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BH96WB	Nc1ncnc2n(CCCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890084	C17H16Cl2F3N5S	450.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCCCCC(F)(F)F)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	BH96WB	Nc1ncnc2n(CCCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890084	C17H16Cl2F3N5S	450.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCCCCC(F)(F)F)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BI6HQ3	8-((2,5-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11326407	C16H13Cl2N5S	378.3	C#CCCCN1C2=NC=NC(=C2N=C1SC3=C(C=CC(=C3)Cl)Cl)N	IC50 = 60400 nM	Poor binder
T03963	Heat shock protein 90 beta	BI6HQ3	8-((2,5-Dichlorophenyl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11326407	C16H13Cl2N5S	378.3	C#CCCCN1C2=NC=NC(=C2N=C1SC3=C(C=CC(=C3)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BIC25R	[(2R,3S)-5,7-Dihydroxy-2-phenyl-3,4-dihydro-2H-chromen-3-yl] benzoate	Investigative	90656426	C22H18O5	362.4	C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4	IC50 = 120000 nM	Poor binder
T03963	Heat shock protein 90 beta	BIG92D	(1E)-1-Imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol	Investigative	135566392	C18H14N4O	302.3	C1C/C(=C\\2/N=C3C=CN=CC3=N2)/C4=C5C=CC=CC5=C(N4C1)O	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BIX69Z	4-[6-Imino-8-(2,4,5-trichlorophenyl)sulfanyl-7H-purin-3-yl]butanenitrile	Investigative	136198650	C15H11Cl3N6S	413.7	C1=C(C(=CC(=C1Cl)Cl)Cl)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BIX69Z	4-[6-Imino-8-(2,4,5-trichlorophenyl)sulfanyl-7H-purin-3-yl]butanenitrile	Investigative	136198650	C15H11Cl3N6S	413.7	C1=C(C(=CC(=C1Cl)Cl)Cl)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BJ13UF	Methyl (1R,3R,5S,18S)-18-(methoxymethyl)-1,5-dimethyl-6,11,16-trioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-triene-3-carboxylate	Investigative	44383813	C23H24O8	428.4	C[C@]12C[C@H](C3=C(C1CCC2=O)C(=O)C4=C5[C@@]3([C@H](OC(=O)C5=CO4)COC)C)C(=O)OC	EC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BJ2BF8	4-[8-[2-(Hydroxymethyl)phenyl]sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934955	C16H16N6OS	340.4	C1=CC=C(C(=C1)CO)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BJ2BF8	4-[8-[2-(Hydroxymethyl)phenyl]sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934955	C16H16N6OS	340.4	C1=CC=C(C(=C1)CO)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BJ2V1A	[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] cyclohexanecarboxylate	Investigative	90656423	C22H24O7	400.4	C1CCC(CC1)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O	IC50 = 81000 nM	Poor binder
T03963	Heat shock protein 90 beta	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 = 119500 nM	Poor binder
T03963	Heat shock protein 90 alpha	BJ9AV6	N-Benzyl-2,4-dihydroxy-N-[4-[(4-methoxyphenyl)methyl-methylcarbamoyl]phenyl]benzamide	Investigative	127024491	C30H28N2O5	496.6	CN(CC1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)N(CC3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)O)O	Ki ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	BJKN73	2-(Benzimidazol-1-yl)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone	Investigative	745543	C17H16N2O3	296.32	CCC1=CC(=C(C=C1O)O)C(=O)CN2C=NC3=CC=CC=C32	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BJR85D	Nc1ncnc2n(CCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890195	C14H10Cl2F3N5S	408.2	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCC(F)(F)F)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	BJR85D	Nc1ncnc2n(CCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890195	C14H10Cl2F3N5S	408.2	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCC(F)(F)F)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BK8RA5	(3S)-3-Acetamido-4-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,5S,8S,11S,19S)-11-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]-5-(3-carbamimidamidopropyl)-2-[(4-hydroxyphenyl)methyl]-8-(2-methylsulfanylethyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicos-19-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid	Investigative	118724474	C91H147N31O26S	2123.4	C[C@H]([C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]2CCCCNC(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC3=CC=C(C=C3)O)CCCNC(=N)N)CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)C)O	IC50 ~ 120000 nM	Poor binder
T03963	Heat shock protein 90 beta	BKDA01	2-Fluoro-8-(2-iodo-4,5-dimethoxybenzyl)-9-(pent-4-ynyl)-9H-purin-6-amine	Investigative	11598450	C19H19FIN5O2	495.3	COC1=C(C=C(C(=C1)CC2=NC3=C(N=C(N=C3N2CCCC#C)F)N)I)OC	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BKY1H0	N-[4-(2-Chloro-5-Methylpyrimidin-4-Yl)phenyl]-N-(4-{[(Difluoroacetyl)amino]methyl}benzyl)-2,4-Dihydroxybenzamide	Investigative	86280454	C28H23ClF2N4O4	553	CC1=CN=C(N=C1C2=CC=C(C=C2)N(CC3=CC=C(C=C3)CNC(=O)C(F)F)C(=O)C4=C(C=C(C=C4)O)O)Cl	Ki ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BKZ24O	N'-[4-(3H-Imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]butanediamide	Investigative	56593967	C23H19N5O2	397.4	C1=CC=C2C(=C1)C(C3=CC=CC(=C32)C4=NC5=C(N4)C=NC=C5)NC(=O)CCC(=O)N	IC50 = 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BL30PY	Chembl4226814	Investigative	145971121	C44H48Cl2N12O5S	927.9	CCNC(=O)C1=CC2=C(N=C(N=C2S1)N)C3=CC(=C(C=C3Cl)Cl)OCCCCCCN4C=C(C=N4)C5=C6C=CNC6=NC(=N5)NC7=CC=C(C=C7)NC(=O)CCCCCCC(=O)NO	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BL86HF	9-But-3-ynyl-8-(2,4-dichlorophenyl)sulfanylpurin-6-amine	Investigative	118737377	C15H11Cl2N5S	364.3	C#CCCN1C2=NC=NC(=C2N=C1SC3=C(C=C(C=C3)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BM8J6H	Nc1ncnc2n(CCCC#C)c(nc12)C(=O)c1ccc(Cl)cc1Cl	Investigative	117890250	C17H13Cl2N5O	374.2	C#CCCCN1C2=NC=NC(=C2N=C1C(=O)C3=C(C=C(C=C3)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BMSX59	9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl)-9H-purin-6-ylamine	Investigative	11463506	C17H14F3N5OS	393.4	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC=CC=C3OC(F)(F)F)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BMSX59	9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl)-9H-purin-6-ylamine	Investigative	11463506	C17H14F3N5OS	393.4	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC=CC=C3OC(F)(F)F)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BN4M8V	US8912181, Comp. Ex. 3	Investigative	89886898	C25H23N7O	437.5	CCNC1=C(C=CC(=C1)C2=CC=CC3=C2C=CN=C3N4C=C(N=C4)C5=CN(N=C5)C)C(=O)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BN8R5J	CC#CCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12	Investigative	117890352	C15H11Cl2N5S	364.3	CC#CCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BN8R5J	CC#CCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc12	Investigative	117890352	C15H11Cl2N5S	364.3	CC#CCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BO0NM4	1-(2,4-Dihydroxyphenyl)-1,3-Dihydro-2h-Benzimidazol-2-One	Investigative	16727212	C13H10N2O3	242.23	C1=CC=C2C(=C1)NC(=O)N2C3=C(C=C(C=C3)O)O	IC50 = 85000 nM	Poor binder
T03963	Heat shock protein 90 beta	BO4T0G	6-[(4-Bromo-2-thienyl)methyl]-2-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine	Investigative	20960831	C19H26BrN5S	436.4	CCCN1CCN(CC1)C2=NC=C3CN(CCC3=N2)CC4=CC(=CS4)Br	IC50 = 59280 nM	Poor binder
T03963	Heat shock protein 90 alpha	BOA15G	8-(4-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11221466	C17H17N5OS	339.4	COC1=CC=C(C=C1)SC2=NC3=C(N=CN=C3N2CCCC#C)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BOA15G	8-(4-Methoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11221466	C17H17N5OS	339.4	COC1=CC=C(C=C1)SC2=NC3=C(N=CN=C3N2CCCC#C)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BOZC84	(3S)-3-Acetamido-4-[(2S)-2-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S,5S,8S,11S,19S)-5-(4-aminobutyl)-11-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-2-[(2S)-butan-2-yl]-8-(2-methylpropyl)-3,6,9,13,20-pentaoxo-1,4,7,10,14-pentazacycloicos-19-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid	Investigative	118724475	C96H157N31O26	2161.5	CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)NCCCC[C@@H](C(=O)N1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(=O)O)NC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(C)C)CCCCN	IC50 ~ 67000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BQ3RB2	Chembl4168274	Investigative	124081275	C24H27N3O3	405.5	C1CC(CCC1NC2=C(C=CC(=C2)N3C=CC=C3CC4=CC=CC=C4O)C(=O)N)O	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BQ9B4V	CC(C)NCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)nccc12	Investigative	117890515	C18H21Cl2N5S	410.4	CC(C)NCCCN1C2=C(C(=NC=C2)N)N=C1SC3=CC(=CC(=C3)Cl)Cl	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BQH8C2	US8779142, Comparative Example 5	Investigative	86766507	C23H27N3O3	393.5	CC1=CC2=C(N1C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C=CC(=C2)OC	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BQM70L	8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	44400015	C19H20ClN5O3S	433.9	COC1=CC(=C(C(=C1OC)OC)Cl)SC2=NC3=C(N=CN=C3N2CCCC#C)N	EC50 ~ 75000 nM	Poor binder
T03963	Heat shock protein 90 beta	BRPV92	2-Morpholin-4-yl-6-(3,4,5-trimethoxybenzyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine	Investigative	20960630	C21H28N4O4	400.5	COC1=CC(=CC(=C1OC)OC)CN2CCC3=NC(=NC=C3C2)N4CCOCC4	IC50 = 55120 nM	Poor binder
T03963	Heat shock protein 90 alpha	BRW61Z	Nc1ncnc2n(CCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890146	C15H12Cl2F3N5S	422.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCCC(F)(F)F)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BRW61Z	Nc1ncnc2n(CCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890146	C15H12Cl2F3N5S	422.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCCC(F)(F)F)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BS2OY4	[2-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)-phenyl]-methanol	Investigative	11393625	C17H17N5OS	339.4	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC=CC=C3CO)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BS2OY4	[2-(6-Amino-9-pent-4-ynyl-9H-purin-8-ylsulfanyl)-phenyl]-methanol	Investigative	11393625	C17H17N5OS	339.4	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC=CC=C3CO)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BS6U9A	4-[6-Imino-8-(2,4,6-trimethylphenyl)sulfanyl-7H-purin-3-yl]butanenitrile	Investigative	136198651	C18H20N6S	352.5	CC1=CC(=C(C(=C1)C)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)C	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BS6U9A	4-[6-Imino-8-(2,4,6-trimethylphenyl)sulfanyl-7H-purin-3-yl]butanenitrile	Investigative	136198651	C18H20N6S	352.5	CC1=CC(=C(C(=C1)C)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)C	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BS8BW5	3-Cyclopentyl-2H-indazol-6-ol	Investigative	135467994	C12H14N2O	202.25	C1CCC(C1)C2=C3C=CC(=CC3=NN2)O	IC50 = 87000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BSAJ97	Nc1ncnc2n(CCCC#C)c(Sc3cc(Br)cc(Br)c3)nc12	Investigative	117890212	C16H13Br2N5S	467.2	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Br)Br)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BT3YF2	4-[8-(2,5-Dichlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934960	C15H12Cl2N6S	379.3	C1=CC(=C(C=C1Cl)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BT3YF2	4-[8-(2,5-Dichlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934960	C15H12Cl2N6S	379.3	C1=CC(=C(C=C1Cl)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BTU18E	8-(2,5-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	10177135	C18H19N5O2S	369.4	COC1=CC(=C(C=C1)OC)SC2=NC3=C(N=CN=C3N2CCCC#C)N	EC50 = 66300 nM	Poor binder
T03963	Heat shock protein 90 alpha	BU13LX	Nc1ncnc2n(CCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117889766	C15H11Cl2N5S	364.3	C#CCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	BU13LX	Nc1ncnc2n(CCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117889766	C15H11Cl2N5S	364.3	C#CCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BU2W5B	8-(2,4-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11773074	C18H19N5O2S	369.4	COC1=CC(=C(C=C1)SC2=NC3=C(N=CN=C3N2CCCC#C)N)OC	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	BU2W5B	8-(2,4-Dimethoxy-phenylsulfanyl)-9-pent-4-ynyl-9H-purin-6-ylamine	Investigative	11773074	C18H19N5O2S	369.4	COC1=CC(=C(C=C1)SC2=NC3=C(N=CN=C3N2CCCC#C)N)OC	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BUE49C	8-(2-Chloro-3,4,5-trimethoxy-phenylsulfanyl)-2-fluoro-9-(2-isopropoxy-ethyl)-9H-purin-6-ylamine	Investigative	11488262	C19H23ClFN5O4S	471.9	CC(C)OCCN1C2=NC(=NC(=C2N=C1SC3=C(C(=C(C(=C3)OC)OC)OC)Cl)N)F	EC50 ~ 75000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BUR97Q	4-[8-(2,5-Dimethylphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934961	C17H18N6S	338.4	CC1=CC(=C(C=C1)C)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BUR97Q	4-[8-(2,5-Dimethylphenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934961	C17H18N6S	338.4	CC1=CC(=C(C=C1)C)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BUW85L	8-((6-Bromobenzo[d][1,3]dioxol-5-yl)thio)-9-(pent-4-yn-1-yl)-9H-purin-6-amine	Investigative	11407809	C17H14BrN5O2S	432.3	C#CCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)Br)N	EC50 = 65300 nM	Poor binder
T03963	Heat shock protein 90 beta	BV4Y0C	N,N-Dimethyl-4-{[2-(4-pyrimidin-2-ylpiperazin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl]methyl}aniline	Investigative	20960908	C24H30N8	430.5	CN(C)C1=CC=C(C=C1)CN2CCC3=NC(=NC=C3C2)N4CCN(CC4)C5=NC=CC=N5	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BV5ZJ9	[3-(Dimethylcarbamoyloxy)-4-[5-(ethylcarbamoylsulfanyl)-4-naphthalen-1-yl-1,2,4-triazol-3-yl]phenyl] N,N-dimethylcarbamate	Investigative	59763487	C27H28N6O5S	548.6	CCNC(=O)SC1=NN=C(N1C2=CC=CC3=CC=CC=C32)C4=C(C=C(C=C4)OC(=O)N(C)C)OC(=O)N(C)C	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BV7B4X	3-(4-Chloro-2,5-dihydroxyphenyl)-1H-benzimidazol-2-one	Investigative	56662987	C13H9ClN2O3	276.67	C1=CC=C2C(=C1)NC(=O)N2C3=CC(=C(C=C3O)Cl)O	IC50 = 200000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BVEF75	CCCC(C)n1c(Sc2ccc(Cl)cc2Cl)nc2c(N)ncnc12	Investigative	117889863	C16H17Cl2N5S	382.3	CCCC(C)N1C2=NC=NC(=C2N=C1SC3=C(C=C(C=C3)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BVTZ25	Nc1ncnc2n(CCCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890268	C17H15Cl2N5S	392.3	C#CCCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	BVTZ25	Nc1ncnc2n(CCCCC#C)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890268	C17H15Cl2N5S	392.3	C#CCCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BW79QS	3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)propanenitrile	Investigative	136254259	C16H19N3O	269.34	C1CCC(CC1)CC(C#N)C2=C3C=CC(=CC3=NN2)O	IC50 = 85000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BWD21P	2-(4-Hydroxycyclohexylamino)-4-(6-methoxyindol-1-yl)benzamide	Investigative	25051913	C22H25N3O3	379.5	COC1=CC2=C(C=C1)C=CN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BWU0S8	CC(C)NCCCn1cnc(N)c2nc(Sc3ccc(C)cc3C)nc12	Investigative	136198652	C19H26N6S	370.5	CC1=CC(=C(C=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCNC(C)C)C	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BX61BQ	9-Benzyl-8-(3,5-dichlorophenyl)sulfanylpurin-6-amine	Investigative	117890044	C18H13Cl2N5S	402.3	C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2SC4=CC(=CC(=C4)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 beta	BX61BQ	9-Benzyl-8-(3,5-dichlorophenyl)sulfanylpurin-6-amine	Investigative	117890044	C18H13Cl2N5S	402.3	C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2SC4=CC(=CC(=C4)Cl)Cl)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BX9Q2I	N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]amine	Investigative	20960605	C24H24N4O4	432.5	C1CN(CC2=CN=C(N=C21)NC3=CC4=C(C=C3)OCCO4)CC5=CC6=C(C=C5)OCCO6	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BXB9L4	4-[8-(2-Chlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934953	C15H13ClN6S	344.8	C1=CC=C(C(=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BXB9L4	4-[8-(2-Chlorophenyl)sulfanyl-6-imino-7H-purin-3-yl]butanenitrile	Investigative	136934953	C15H13ClN6S	344.8	C1=CC=C(C(=C1)SC2=NC3=C(N2)C(=N)N=CN3CCCC#N)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BY19SC	Nc1ncnc2n(CCCC#C)c(Sc3cc(cc(c3)C#N)C#N)nc12	Investigative	117890321	C18H13N7S	359.4	C#CCCCN1C2=NC=NC(=C2N=C1SC3=CC(=CC(=C3)C#N)C#N)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BY4S1W	8-(2,4-Dichlorophenyl)sulfanyl-9-pent-4-yn-2-ylpurin-6-amine	Investigative	118737378	C16H13Cl2N5S	378.3	CC(CC#C)N1C2=NC=NC(=C2N=C1SC3=C(C=C(C=C3)Cl)Cl)N	IC50 ~ 50000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BY89JE	5-N-(2,4-Dihydroxy-5-propan-2-ylphenyl)-3-N-ethyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxamide	Investigative	90655144	C19H24N4O5	388.4	CCNC(=O)C1=NOC2=C1CN(CC2)C(=O)NC3=C(C=C(C(=C3)C(C)C)O)O	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BZ9WD6	3-Chloro-4-indol-1-ylbenzamide	Investigative	25052421	C15H11ClN2O	270.71	C1=CC=C2C(=C1)C=CN2C3=C(C=C(C=C3)C(=O)N)Cl	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	BZGN27	Nc1ncnc2n(CCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890308	C16H14Cl2F3N5S	436.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCCCC(F)(F)F)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 beta	BZGN27	Nc1ncnc2n(CCCCC(F)(F)F)c(Sc3cc(Cl)cc(Cl)c3)nc12	Investigative	117890308	C16H14Cl2F3N5S	436.3	C1=C(C=C(C=C1Cl)Cl)SC2=NC3=C(N=CN=C3N2CCCCC(F)(F)F)N	IC50 ~ 100000 nM	Poor binder
T03963	Heat shock protein 90 alpha	D05NWF	adenosine diphosphate	Investigative	6022	C10H15N5O10P2	427.2	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N	IC50 = 59308 nM	Poor binder
T03963	Heat shock protein 90 alpha	D07APP	LY-292223	Investigative	131255	C13H13NO3	231.25	C1COCCN1C2=CC(=O)C3=CC=CC=C3O2	EC50 ~ 50000 nM	Poor binder