Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50107590'   

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))	BDBM50107590 (CHEMBL3600799) Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NC(=O)c1ccc(nc1)C(F)(F)F)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H27F3N4O5/c1-6-31-25(38)22-16(23(39-34-22)18-11-17(14(2)3)19(35)12-20(18)36)9-10-26(4,5)33-24(37)15-7-8-21(32-13-15)27(28,29)30/h7-8,11-14,35-36H,6H2,1-5H3,(H,31,38)(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Chengdu University of TCM Curated by ChEMBL					Assay Description Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 25: 3129-34 (2015) Article DOI: 10.1016/j.bmcl.2015.06.009 BindingDB Entry DOI: 10.7270/Q2959KB2
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