Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50107681'   

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))	BDBM50107681 (CHEMBL3600512) Show SMILES CCNC(=O)c1noc(c1C#CC(C)(C)NS(=O)(=O)c1ccc(C)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H31N3O6S/c1-7-28-26(33)24-19(25(36-29-24)21-14-20(16(2)3)22(31)15-23(21)32)12-13-27(5,6)30-37(34,35)18-10-8-17(4)9-11-18/h8-11,14-16,30-32H,7H2,1-6H3,(H,28,33)	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	78	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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