Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha/90-beta' and Ligand = 'BDBM50482743'   

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/90-beta (Homo sapiens (Human))	BDBM50482743 (CHEMBL1215467) Show SMILES CC(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O Show InChI InChI=1S/C18H19NO3/c1-11(2)14-7-15(17(21)8-16(14)20)18(22)19-9-12-5-3-4-6-13(12)10-19/h3-8,11,20-21H,9-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics, Ltd. Curated by ChEMBL					Assay Description Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetry				J Med Chem 53: 5942-55 (2010) Article DOI: 10.1021/jm100059d BindingDB Entry DOI: 10.7270/Q2QF8WPC
					More data for this Ligand-Target Pair				3D Structure (crystal)