Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50379847'   

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))	BDBM50379847 (CHEMBL2011849) Show SMILES CCCCNc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O Show InChI InChI=1S/C23H29N5O/c1-5-6-9-25-21-16(8-7-15-20(21)26-13-27-22(15)24)28-12-14(2)19-17(28)10-23(3,4)11-18(19)29/h7-8,12-13,25H,5-6,9-11H2,1-4H3,(H2,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA				Bioorg Med Chem Lett 22: 2550-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.137 BindingDB Entry DOI: 10.7270/Q2WQ04TB
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