Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM15369'   

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-beta (Homo sapiens (Human))	BDBM15369 (3-(5-Chloro-2,4-dihydroxyphenyl)-4-(4-methoxypheny...) Show SMILES COc1ccc(cc1)-c1c(n[nH]c1C(N)=O)-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C17H14ClN3O4/c1-25-9-4-2-8(3-5-9)14-15(20-21-16(14)17(19)24)10-6-11(18)13(23)7-12(10)22/h2-7,22-23H,1H3,(H2,19,24)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	7.4	22
Vernalis (R&D) Ltd					Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...				J Med Chem 48: 4212-5 (2005) Article DOI: 10.1021/jm050355z BindingDB Entry DOI: 10.7270/Q2WQ0216
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