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 = 'BDBM50480384'   

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))	BDBM50480384 (CHEMBL550139) Show SMILES C[C@H](Nc1cc(ccc1C(N)=O)-n1cc(C)c2c1CC(C)(C)CC2=O)c1ccccc1 |r| Show InChI InChI=1S/C26H29N3O2/c1-16-15-29(22-13-26(3,4)14-23(30)24(16)22)19-10-11-20(25(27)31)21(12-19)28-17(2)18-8-6-5-7-9-18/h5-12,15,17,28H,13-14H2,1-4H3,(H2,27,31)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.18E+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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