Compile Data Set for Download or QSAR

Found 71 hits of ec50 for UniProtKB: P08238   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50030868 ((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...) Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31| Show InChI InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-10,12-13,16,21-22,24,26,32-34H,11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,14-10?,15-8?,17-12+/t16-,21-,22-,24+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN | CHEBI:65324) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,25,t:17,23,36| Show InChI InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A2058 cells				Bioorg Med Chem Lett 18: 6273-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.081 BindingDB Entry DOI: 10.7270/Q29C717D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191368 (17-amino-17-demethoxygeldanamycin hydroquinone hyd...) Show SMILES CO[C@H]1C[C@H](C)Cc2c([NH3+])c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |w:19.19,t:31| Show InChI InChI=1S/C28H41N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,32-34H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/p+1/b9-7?,15-8?,17-12+/t14-,16+,21+,22+,24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50030868 ((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...) Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31| Show InChI InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-10,12-13,16,21-22,24,26,32-34H,11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,14-10?,15-8?,17-12+/t16-,21-,22-,24+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191368 (17-amino-17-demethoxygeldanamycin hydroquinone hyd...) Show SMILES CO[C@H]1C[C@H](C)Cc2c([NH3+])c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |w:19.19,t:31| Show InChI InChI=1S/C28H41N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,32-34H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/p+1/b9-7?,15-8?,17-12+/t14-,16+,21+,22+,24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]CC=C |r,w:16.16,t:28| Show InChI InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/p+1/b11-9?,18-10?,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50030868 ((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...) Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31| Show InChI InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-10,12-13,16,21-22,24,26,32-34H,11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,14-10?,15-8?,17-12+/t16-,21-,22-,24+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50479788 (CHEMBL486750) Show SMILES Cc1cc(ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CC(F)(F)C1 |r| Show InChI InChI=1S/C22H21ClF2N2O4/c1-12-7-13(20(30)26-10-22(24,25)11-26)4-5-14(12)17-3-2-6-27(17)21(31)15-8-16(23)19(29)9-18(15)28/h4-5,7-9,17,28-29H,2-3,6,10-11H2,1H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A2058 cells				Bioorg Med Chem Lett 18: 6273-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.081 BindingDB Entry DOI: 10.7270/Q29C717D
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM15359 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]CC=C |r,w:16.16,t:28| Show InChI InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/p+1/b11-9?,18-10?,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM15359 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]CC=C |r,w:16.16,t:28| Show InChI InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/p+1/b11-9?,18-10?,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]CC=C |r,w:16.16,t:28| Show InChI InChI=1S/C31H45N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/p+1/b11-9?,18-10?,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191368 (17-amino-17-demethoxygeldanamycin hydroquinone hyd...) Show SMILES CO[C@H]1C[C@H](C)Cc2c([NH3+])c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |w:19.19,t:31| Show InChI InChI=1S/C28H41N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,32-34H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/p+1/b9-7?,15-8?,17-12+/t14-,16+,21+,22+,24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM15359 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM20732 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2OC |r,w:16.16,6.6,t:28| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-11,13-14,17,22-24,26,32-34H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8?,15-11?,16-9?,18-13+/t17-,22-,23-,24+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of GM-BODIPY from Hsp90				Bioorg Med Chem Lett 16: 3529-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.092 BindingDB Entry DOI: 10.7270/Q2S1824R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50479790 (CHEMBL486547) Show SMILES Cc1cc(ccc1[C@H]1CCCN1C(=O)c1cc(Cl)c(O)cc1O)C(=O)N1CCC(F)(F)C1 |r| Show InChI InChI=1S/C23H23ClF2N2O4/c1-13-9-14(21(31)27-8-6-23(25,26)12-27)4-5-15(13)18-3-2-7-28(18)22(32)16-10-17(24)20(30)11-19(16)29/h4-5,9-11,18,29-30H,2-3,6-8,12H2,1H3/t18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A2058 cells				Bioorg Med Chem Lett 18: 6273-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.081 BindingDB Entry DOI: 10.7270/Q29C717D
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50185533 (CHEMBL216657 | CHEMBL264777 | GM-4T-GM) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c(NCC=CCNc1c(O)c(OC)c3C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc1c3O)c(O)c2OC |w:16.16,6.6,72.72,48.48,38.39,c:60,t:28| Show InChI InChI=1S/C62H86N6O18/c1-31-25-39-51(71)47(67-59(75)33(3)19-17-21-41(79-9)55(85-61(63)77)37(7)29-35(5)49(69)43(27-31)81-11)45(53(73)57(39)83-13)65-23-15-16-24-66-46-48-52(72)40(58(84-14)54(46)74)26-32(2)28-44(82-12)50(70)36(6)30-38(8)56(86-62(64)78)42(80-10)22-18-20-34(4)60(76)68-48/h15-22,25-26,29-30,35-36,41-44,49-50,55-56,65-66,69-74H,23-24,27-28H2,1-14H3,(H2,63,77)(H2,64,78)(H,67,75)(H,68,76)/b16-15?,21-17?,22-18?,31-25?,32-26?,33-19?,34-20?,37-29+,38-30+/t35-,36-,41-,42-,43-,44-,49+,50+,55-,56-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of GM-BODIPY from Hsp90				Bioorg Med Chem Lett 16: 3529-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.092 BindingDB Entry DOI: 10.7270/Q2S1824R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM15359 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of GM-BODIPY from Hsp90				Bioorg Med Chem Lett 16: 3529-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.092 BindingDB Entry DOI: 10.7270/Q2S1824R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50030868 ((8S,9S,12S,13R,14S,16R)-19-amino-13-hydroxy-8,14-d...) Show SMILES CO[C@H]1CC(C)=Cc2c(N)c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |r,w:20.19,17.17,6.6,t:31| Show InChI InChI=1S/C28H39N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-10,12-13,16,21-22,24,26,32-34H,11,29H2,1-6H3,(H2,30,36)(H,31,35)/b9-7?,14-10?,15-8?,17-12+/t16-,21-,22-,24+,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	53	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191368 (17-amino-17-demethoxygeldanamycin hydroquinone hyd...) Show SMILES CO[C@H]1C[C@H](C)Cc2c([NH3+])c(O)cc(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c2O |w:19.19,t:31| Show InChI InChI=1S/C28H41N3O8/c1-14-10-18-23(29)20(32)13-19(25(18)34)31-27(35)15(2)8-7-9-21(37-5)26(39-28(30)36)17(4)12-16(3)24(33)22(11-14)38-6/h7-9,12-14,16,21-22,24,26,32-34H,10-11,29H2,1-6H3,(H2,30,36)(H,31,35)/p+1/b9-7?,15-8?,17-12+/t14-,16+,21+,22+,24-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50185535 (CHEMBL413689 | GM-4-GM) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c(NCCCCNc1c(O)c(OC)c3C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc1c3O)c(O)c2OC |w:16.16,6.6,72.72,48.48,c:60,t:28| Show InChI InChI=1S/C62H88N6O18/c1-31-25-39-51(71)47(67-59(75)33(3)19-17-21-41(79-9)55(85-61(63)77)37(7)29-35(5)49(69)43(27-31)81-11)45(53(73)57(39)83-13)65-23-15-16-24-66-46-48-52(72)40(58(84-14)54(46)74)26-32(2)28-44(82-12)50(70)36(6)30-38(8)56(86-62(64)78)42(80-10)22-18-20-34(4)60(76)68-48/h17-22,25-26,29-30,35-36,41-44,49-50,55-56,65-66,69-74H,15-16,23-24,27-28H2,1-14H3,(H2,63,77)(H2,64,78)(H,67,75)(H,68,76)/b21-17?,22-18?,31-25?,32-26?,33-19?,34-20?,37-29+,38-30+/t35-,36-,41-,42-,43-,44-,49+,50+,55-,56-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	91	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of GM-BODIPY from Hsp90				Bioorg Med Chem Lett 16: 3529-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.092 BindingDB Entry DOI: 10.7270/Q2S1824R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50008057 (BMS-722782 | CHEBI:64153 | TANESPIMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	99	n/a	n/a	n/a	n/a
Universit£ di Palermo Curated by ChEMBL					Assay Description Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay				J Med Chem 56: 3424-8 (2013) Article DOI: 10.1021/jm4002023 BindingDB Entry DOI: 10.7270/Q2RR225V
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191366 (17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]C[C@H](O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H47N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,20,24-25,27,29,33,35-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/p+1/b9-7?,17-8?,19-12+/t16-,18+,20+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	102	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM15359 ((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2N=CC=C |r,w:16.16,38.39,t:28| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-12,15-17,19,24-25,27,29,35-37H,1,13-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9?,18-10?,20-15+,33-12?/t17-,19+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Binding affinity towards Heat shock protein HSP 90-alpha inhibitor				Bioorg Med Chem Lett 13: 3975-8 (2003) BindingDB Entry DOI: 10.7270/Q2W958KM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191364 (17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NCC(=O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H45N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,24-25,27,29,33,35,37-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/b9-7?,17-8?,19-12+/t16-,18+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191364 (17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NCC(=O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H45N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,24-25,27,29,33,35,37-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/b9-7?,17-8?,19-12+/t16-,18+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	141	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191363 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc1OCC(=O)N(CC=C)c21 |w:17.16,14.14,t:28| Show InChI InChI=1S/C33H45N3O9/c1-8-12-36-27(37)17-44-25-16-23-30(39)22(28(25)36)13-18(2)14-26(43-7)29(38)20(4)15-21(5)31(45-33(34)41)24(42-6)11-9-10-19(3)32(40)35-23/h8-11,15-16,18,20,24,26,29,31,38-39H,1,12-14,17H2,2-7H3,(H2,34,41)(H,35,40)/b11-9?,19-10?,21-15+/t18-,20+,24+,26+,29-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50490761 (CHEMBL2336001) Show SMILES COc1cccc(c1O)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O4S/c1-28-18-8-4-7-14(19(18)25)15-10-17(23-20(22)16(15)11-21)12-5-3-6-13(9-12)24-29(2,26)27/h3-10,24-25H,1-2H3,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	252	n/a	n/a	n/a	n/a
Universit£ di Palermo Curated by ChEMBL					Assay Description Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay				J Med Chem 56: 3424-8 (2013) Article DOI: 10.1021/jm4002023 BindingDB Entry DOI: 10.7270/Q2RR225V
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191363 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc1OCC(=O)N(CC=C)c21 |w:17.16,14.14,t:28| Show InChI InChI=1S/C33H45N3O9/c1-8-12-36-27(37)17-44-25-16-23-30(39)22(28(25)36)13-18(2)14-26(43-7)29(38)20(4)15-21(5)31(45-33(34)41)24(42-6)11-9-10-19(3)32(40)35-23/h8-11,15-16,18,20,24,26,29,31,38-39H,1,12-14,17H2,2-7H3,(H2,34,41)(H,35,40)/b11-9?,19-10?,21-15+/t18-,20+,24+,26+,29-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	311	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191366 (17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]C[C@H](O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H47N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,20,24-25,27,29,33,35-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/p+1/b9-7?,17-8?,19-12+/t16-,18+,20+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	321	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50185533 (CHEMBL216657 | CHEMBL264777 | GM-4T-GM) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c(NCC=CCNc1c(O)c(OC)c3C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc1c3O)c(O)c2OC |w:16.16,6.6,72.72,48.48,38.39,c:60,t:28| Show InChI InChI=1S/C62H86N6O18/c1-31-25-39-51(71)47(67-59(75)33(3)19-17-21-41(79-9)55(85-61(63)77)37(7)29-35(5)49(69)43(27-31)81-11)45(53(73)57(39)83-13)65-23-15-16-24-66-46-48-52(72)40(58(84-14)54(46)74)26-32(2)28-44(82-12)50(70)36(6)30-38(8)56(86-62(64)78)42(80-10)22-18-20-34(4)60(76)68-48/h15-22,25-26,29-30,35-36,41-44,49-50,55-56,65-66,69-74H,23-24,27-28H2,1-14H3,(H2,63,77)(H2,64,78)(H,67,75)(H,68,76)/b16-15?,21-17?,22-18?,31-25?,32-26?,33-19?,34-20?,37-29+,38-30+/t35-,36-,41-,42-,43-,44-,49+,50+,55-,56-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	345	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of GM-BODIPY from Hsp90				Bioorg Med Chem Lett 16: 3529-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.092 BindingDB Entry DOI: 10.7270/Q2S1824R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50490762 (CHEMBL2335995) Show SMILES CN(C)c1ccc(cc1)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C21H21N5O2S/c1-26(2)17-9-7-14(8-10-17)18-12-20(24-21(23)19(18)13-22)15-5-4-6-16(11-15)25-29(3,27)28/h4-12,25H,1-3H3,(H2,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	371	n/a	n/a	n/a	n/a
Universit£ di Palermo Curated by ChEMBL					Assay Description Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay				J Med Chem 56: 3424-8 (2013) Article DOI: 10.1021/jm4002023 BindingDB Entry DOI: 10.7270/Q2RR225V
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191369 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc1oc(=O)n(CC=C)c21 |w:14.14,17.16,t:28| Show InChI InChI=1S/C32H43N3O9/c1-8-12-35-26-21-13-17(2)14-25(42-7)27(36)19(4)15-20(5)29(44-31(33)39)23(41-6)11-9-10-18(3)30(38)34-22(28(21)37)16-24(26)43-32(35)40/h8-11,15-17,19,23,25,27,29,36-37H,1,12-14H2,2-7H3,(H2,33,39)(H,34,38)/b11-9?,18-10?,20-15+/t17-,19+,23+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	384	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191363 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc1OCC(=O)N(CC=C)c21 |w:17.16,14.14,t:28| Show InChI InChI=1S/C33H45N3O9/c1-8-12-36-27(37)17-44-25-16-23-30(39)22(28(25)36)13-18(2)14-26(43-7)29(38)20(4)15-21(5)31(45-33(34)41)24(42-6)11-9-10-19(3)32(40)35-23/h8-11,15-16,18,20,24,26,29,31,38-39H,1,12-14,17H2,2-7H3,(H2,34,41)(H,35,40)/b11-9?,19-10?,21-15+/t18-,20+,24+,26+,29-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	415	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191365 (Allyl-((12E,16Z,18E)-(7R,9S,10R,11S,14S,15S)-14-ca...) Show SMILES CO[C@H]1C[C@H](C)Cc2c([NH2+]CC=C)c(O)cc3nc(oc23)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O |w:23.25,t:37| Show InChI InChI=1S/C31H43N3O7/c1-8-12-33-26-21-13-17(2)14-25(39-7)27(36)19(4)15-20(5)28(41-31(32)37)24(38-6)11-9-10-18(3)30-34-22(16-23(26)35)29(21)40-30/h8-11,15-17,19,24-25,27-28,33,35-36H,1,12-14H2,2-7H3,(H2,32,37)/p+1/b11-9?,18-10?,20-15+/t17-,19+,24+,25+,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	435	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50185536 (CHEMBL409571 | GM-9-GM) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)c(NCCCCCCCCCNc1c(O)c(OC)c3C=C(C)C[C@H](OC)[C@H](O)[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)Nc1c3O)c(O)c2OC |w:16.16,6.6,77.77,53.53,c:65,t:28| Show InChI InChI=1S/C67H98N6O18/c1-36-30-44-56(76)52(72-64(80)38(3)24-22-26-46(84-9)60(90-66(68)82)42(7)34-40(5)54(74)48(32-36)86-11)50(58(78)62(44)88-13)70-28-20-18-16-15-17-19-21-29-71-51-53-57(77)45(63(89-14)59(51)79)31-37(2)33-49(87-12)55(75)41(6)35-43(8)61(91-67(69)83)47(85-10)27-23-25-39(4)65(81)73-53/h22-27,30-31,34-35,40-41,46-49,54-55,60-61,70-71,74-79H,15-21,28-29,32-33H2,1-14H3,(H2,68,82)(H2,69,83)(H,72,80)(H,73,81)/b26-22?,27-23?,36-30?,37-31?,38-24?,39-25?,42-34+,43-35+/t40-,41-,46-,47-,48-,49-,54+,55+,60-,61-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	465	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of GM-BODIPY from Hsp90				Bioorg Med Chem Lett 16: 3529-32 (2006) Article DOI: 10.1016/j.bmcl.2006.03.092 BindingDB Entry DOI: 10.7270/Q2S1824R
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50490756 (CHEMBL2335999) Show SMILES COc1ccc(cc1)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O3S/c1-27-16-8-6-13(7-9-16)17-11-19(23-20(22)18(17)12-21)14-4-3-5-15(10-14)24-28(2,25)26/h3-11,24H,1-2H3,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	541	n/a	n/a	n/a	n/a
Universit£ di Palermo Curated by ChEMBL					Assay Description Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay				J Med Chem 56: 3424-8 (2013) Article DOI: 10.1021/jm4002023 BindingDB Entry DOI: 10.7270/Q2RR225V
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191365 (Allyl-((12E,16Z,18E)-(7R,9S,10R,11S,14S,15S)-14-ca...) Show SMILES CO[C@H]1C[C@H](C)Cc2c([NH2+]CC=C)c(O)cc3nc(oc23)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O |w:23.25,t:37| Show InChI InChI=1S/C31H43N3O7/c1-8-12-33-26-21-13-17(2)14-25(39-7)27(36)19(4)15-20(5)28(41-31(32)37)24(38-6)11-9-10-18(3)30-34-22(16-23(26)35)29(21)40-30/h8-11,15-17,19,24-25,27-28,33,35-36H,1,12-14H2,2-7H3,(H2,32,37)/p+1/b11-9?,18-10?,20-15+/t17-,19+,24+,25+,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	585	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50490760 (CHEMBL2335997) Show SMILES COc1ccccc1-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C20H18N4O3S/c1-27-19-9-4-3-8-15(19)16-11-18(23-20(22)17(16)12-21)13-6-5-7-14(10-13)24-28(2,25)26/h3-11,24H,1-2H3,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	634	n/a	n/a	n/a	n/a
Universit£ di Palermo Curated by ChEMBL					Assay Description Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay				J Med Chem 56: 3424-8 (2013) Article DOI: 10.1021/jm4002023 BindingDB Entry DOI: 10.7270/Q2RR225V
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191369 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc1oc(=O)n(CC=C)c21 |w:14.14,17.16,t:28| Show InChI InChI=1S/C32H43N3O9/c1-8-12-35-26-21-13-17(2)14-25(42-7)27(36)19(4)15-20(5)29(44-31(33)39)23(41-6)11-9-10-18(3)30(38)34-22(28(21)37)16-24(26)43-32(35)40/h8-11,15-17,19,23,25,27,29,36-37H,1,12-14H2,2-7H3,(H2,33,39)(H,34,38)/b11-9?,18-10?,20-15+/t17-,19+,23+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	742	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191366 (17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]C[C@H](O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H47N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,20,24-25,27,29,33,35-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/p+1/b9-7?,17-8?,19-12+/t16-,18+,20+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	756	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50490764 (CHEMBL2336003) Show SMILES CCN(CC)c1ccc(cc1)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C23H25N5O2S/c1-4-28(5-2)19-11-9-16(10-12-19)20-14-22(26-23(25)21(20)15-24)17-7-6-8-18(13-17)27-31(3,29)30/h6-14,27H,4-5H2,1-3H3,(H2,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	783	n/a	n/a	n/a	n/a
Universit£ di Palermo Curated by ChEMBL					Assay Description Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay				J Med Chem 56: 3424-8 (2013) Article DOI: 10.1021/jm4002023 BindingDB Entry DOI: 10.7270/Q2RR225V
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191364 (17-((S)-amino-3,2-propanediol)-17-demethoxygeldana...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NCC(=O)CO |w:16.16,t:28| Show InChI InChI=1S/C31H45N3O10/c1-16-10-21-26(33-14-20(36)15-35)23(37)13-22(28(21)39)34-30(40)17(2)8-7-9-24(42-5)29(44-31(32)41)19(4)12-18(3)27(38)25(11-16)43-6/h7-9,12-13,16,18,24-25,27,29,33,35,37-39H,10-11,14-15H2,1-6H3,(H2,32,41)(H,34,40)/b9-7?,17-8?,19-12+/t16-,18+,24+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	853	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50490757 (CHEMBL2335998) Show SMILES COc1ccc(cc1OC)-c1cc(nc(N)c1C#N)-c1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C21H20N4O4S/c1-28-19-8-7-13(10-20(19)29-2)16-11-18(24-21(23)17(16)12-22)14-5-4-6-15(9-14)25-30(3,26)27/h4-11,25H,1-3H3,(H2,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	867	n/a	n/a	n/a	n/a
Universit£ di Palermo Curated by ChEMBL					Assay Description Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay				J Med Chem 56: 3424-8 (2013) Article DOI: 10.1021/jm4002023 BindingDB Entry DOI: 10.7270/Q2RR225V
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50490758 (CHEMBL2335994) Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1cc(-c2ccccc2Cl)c(C#N)c(N)n1 Show InChI InChI=1S/C19H15ClN4O2S/c1-27(25,26)24-13-6-4-5-12(9-13)18-10-15(16(11-21)19(22)23-18)14-7-2-3-8-17(14)20/h2-10,24H,1H3,(H2,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a
Universit£ di Palermo Curated by ChEMBL					Assay Description Inhibition of biotinylated geldanamycin binding to human recombinant Hsp90 ATP binding domain after 60 mins by fluorescence assay				J Med Chem 56: 3424-8 (2013) Article DOI: 10.1021/jm4002023 BindingDB Entry DOI: 10.7270/Q2RR225V
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191363 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc1OCC(=O)N(CC=C)c21 |w:17.16,14.14,t:28| Show InChI InChI=1S/C33H45N3O9/c1-8-12-36-27(37)17-44-25-16-23-30(39)22(28(25)36)13-18(2)14-26(43-7)29(38)20(4)15-21(5)31(45-33(34)41)24(42-6)11-9-10-19(3)32(40)35-23/h8-11,15-16,18,20,24,26,29,31,38-39H,1,12-14,17H2,2-7H3,(H2,34,41)(H,35,40)/b11-9?,19-10?,21-15+/t18-,20+,24+,26+,29-,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191369 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc1oc(=O)n(CC=C)c21 |w:14.14,17.16,t:28| Show InChI InChI=1S/C32H43N3O9/c1-8-12-35-26-21-13-17(2)14-25(42-7)27(36)19(4)15-20(5)29(44-31(33)39)23(41-6)11-9-10-18(3)30(38)34-22(28(21)37)16-24(26)43-32(35)40/h8-11,15-17,19,23,25,27,29,36-37H,1,12-14H2,2-7H3,(H2,33,39)(H,34,38)/b11-9?,18-10?,20-15+/t17-,19+,23+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50191369 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc1oc(=O)n(CC=C)c21 |w:14.14,17.16,t:28| Show InChI InChI=1S/C32H43N3O9/c1-8-12-35-26-21-13-17(2)14-25(42-7)27(36)19(4)15-20(5)29(44-31(33)39)23(41-6)11-9-10-18(3)30(38)34-22(28(21)37)16-24(26)43-32(35)40/h8-11,15-17,19,23,25,27,29,36-37H,1,12-14H2,2-7H3,(H2,33,39)(H,34,38)/b11-9?,18-10?,20-15+/t17-,19+,23+,25+,27-,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha/90-beta (Homo sapiens (Human))	BDBM50482548 (CHEMBL1215537) Show SMILES CCC(C)\C=C\C=C\C=C\C(=O)\C=C(/O)C1=C2C=C(CC(O)CO)\C(=C\NCc3ccccc3)C(=O)[C@]2(C)OC1=O |r,c:15,t:17| Show InChI InChI=1S/C33H37NO7/c1-4-22(2)12-8-5-6-11-15-25(36)18-29(38)30-28-17-24(16-26(37)21-35)27(31(39)33(28,3)41-32(30)40)20-34-19-23-13-9-7-10-14-23/h5-15,17-18,20,22,26,34-35,37-38H,4,16,19,21H2,1-3H3/b6-5+,12-8+,15-11+,27-20-,29-18-/t22?,26?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a
Universit£ di Milano Curated by ChEMBL					Assay Description Inhibition of HSP90 in human A431 cells assessed as down-regulation of survivin protein after 24 hrs by immunoblotting				Bioorg Med Chem 18: 6031-43 (2010) Article DOI: 10.1016/j.bmc.2010.06.068 BindingDB Entry DOI: 10.7270/Q2TB19Q1
					More data for this Ligand-Target Pair

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