Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM15390'   

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))	BDBM15390 (3-(5-chloro-2,4-dihydroxyphenyl)-N-(4-chlorophenyl...) Show SMILES Oc1cc(O)c(cc1Cl)-c1n[nH]cc1C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C16H11Cl2N3O3/c17-8-1-3-9(4-2-8)20-16(24)11-7-19-21-15(11)10-5-12(18)14(23)6-13(10)22/h1-7,22-23H,(H,19,21)(H,20,24)	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	6.90E+3	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...				Bioorg Med Chem Lett 15: 5197-201 (2005) Article DOI: 10.1016/j.bmcl.2005.08.091 BindingDB Entry DOI: 10.7270/Q2N58JND
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