Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50210938'   

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 (Homo sapiens (Human))	BDBM50210938 (CHEMBL3957228) Show SMILES Oc1ccc(NC(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C13H10ClNO4/c14-10-5-9(11(17)6-12(10)18)13(19)15-7-1-3-8(16)4-2-7/h1-6,16-18H,(H,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E...				Eur J Med Chem 124: 1069-1080 (2016) Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ
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