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 = 'BDBM50182717'   

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))	BDBM50182717 (4-chloro-6-(4-(4-methylpiperazin-1-yl)-1H-pyrazol-...) Show SMILES CN1CCN(CC1)c1c[nH]nc1-c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C14H17ClN4O2/c1-18-2-4-19(5-3-18)11-8-16-17-14(11)9-6-10(15)13(21)7-12(9)20/h6-8,20-21H,2-5H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis Ltd Curated by ChEMBL					Assay Description Inhibition of HSP90 by FP assay				Bioorg Med Chem Lett 16: 2543-8 (2006) Article DOI: 10.1016/j.bmcl.2006.01.099 BindingDB Entry DOI: 10.7270/Q2G44PWS
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