Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50064400'   

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))	BDBM50064400 (CHEMBL3401151) Show SMILES CC(C)CN1CCc2c(C)c3c(CC(C)(C)CC3=O)n2-c2cc(Cl)c(cc12)C(N)=O Show InChI InChI=1S/C24H30ClN3O2/c1-13(2)12-27-7-6-17-14(3)22-20(10-24(4,5)11-21(22)29)28(17)19-9-16(25)15(23(26)30)8-18(19)27/h8-9,13H,6-7,10-12H2,1-5H3,(H2,26,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibition of FITC-GA binding to Hsp90alpha (unknown origin) ATPase site after 2 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 25: 1338-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.023 BindingDB Entry DOI: 10.7270/Q27M09MS
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