Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM50191365'   

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))	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))	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))	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	3.23E+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