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 = 'BDBM50480402'   

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))	BDBM50480402 (CHEMBL561497) Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NC3CCSCC3)c2)C(F)F)C(=O)C1 Show InChI InChI=1S/C22H26F2N4O2S/c1-22(2)10-16-18(17(29)11-22)19(20(23)24)27-28(16)13-3-4-14(21(25)30)15(9-13)26-12-5-7-31-8-6-12/h3-4,9,12,20,26H,5-8,10-11H2,1-2H3,(H2,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+4	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
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