Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM50191363'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	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))	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))	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))	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