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 = 'BDBM50480387'   

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))	BDBM50480387 (CHEMBL549543) Show SMILES CC1(C)Cc2c(c(nn2-c2ccc(C(N)=O)c(NCCCN3CCCC3=O)c2)C(F)(F)F)C(=O)C1 Show InChI InChI=1S/C24H28F3N5O3/c1-23(2)12-17-20(18(33)13-23)21(24(25,26)27)30-32(17)14-6-7-15(22(28)35)16(11-14)29-8-4-10-31-9-3-5-19(31)34/h6-7,11,29H,3-5,8-10,12-13H2,1-2H3,(H2,28,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+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
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