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 = 'BDBM50480386'   

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))	BDBM50480386 (CHEMBL562037) Show SMILES CC(Nc1cc(ccc1C(N)=O)-n1nc(C)c2c1CC(C)(C)CC2=O)S(C)(=O)=O Show InChI InChI=1S/C20H26N4O4S/c1-11-18-16(9-20(3,4)10-17(18)25)24(23-11)13-6-7-14(19(21)26)15(8-13)22-12(2)29(5,27)28/h6-8,12,22H,9-10H2,1-5H3,(H2,21,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
Serenex Inc Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human AU565 cells assessed as Her2 degradation after 24 hrs by high content screening				J Med Chem 52: 4288-305 (2009) Article DOI: 10.1021/jm900230j BindingDB Entry DOI: 10.7270/Q2MK6GQJ
					More data for this Ligand-Target Pair