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 = 'BDBM50480380'   

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))	BDBM50480380 (CHEMBL552300) Show SMILES COc1cc(Nc2cc(ccc2C(N)=O)-n2cc(C)c3c2CCCC3=O)cc(OC)c1OC Show InChI InChI=1S/C25H27N3O5/c1-14-13-28(19-6-5-7-20(29)23(14)19)16-8-9-17(25(26)30)18(12-16)27-15-10-21(31-2)24(33-4)22(11-15)32-3/h8-13,27H,5-7H2,1-4H3,(H2,26,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+3	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