Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50492756'   

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))	BDBM50492756 (CHEMBL2413566) Show SMILES C(N(Cc1cn(Cc2ccc(cc2)-c2ccccc2)nn1)Cc1cn(Cc2ccc(cc2)-c2ccccc2)nn1)c1cn(Cc2ccc(cc2)-c2ccccc2)nn1 Show InChI InChI=1S/C48H42N10/c1-4-10-40(11-5-1)43-22-16-37(17-23-43)28-56-34-46(49-52-56)31-55(32-47-35-57(53-50-47)29-38-18-24-44(25-19-38)41-12-6-2-7-13-41)33-48-36-58(54-51-48)30-39-20-26-45(27-21-39)42-14-8-3-9-15-42/h1-27,34-36H,28-33H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Binding affinity to human Hsp90 by surface plasmon resonance analysis				Eur J Med Chem 65: 464-76 (2013) Article DOI: 10.1016/j.ejmech.2013.05.016 BindingDB Entry DOI: 10.7270/Q2P2721F
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