Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50343382'   

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 (Homo sapiens (Human))	BDBM50343382 (2-Amino-4-[2,4-dichloro-6-(2-pyrazol-1-ylethoxy)ph...) Show SMILES CNC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cccn1 |(28.13,1.82,;27.35,3.15,;25.81,3.15,;25.03,4.48,;25.05,1.81,;23.52,1.64,;23.21,.14,;21.88,-.63,;21.88,-2.18,;20.54,-2.95,;23.21,-2.95,;24.55,-2.18,;24.54,-.62,;25.68,.41,;25.87,-2.94,;25.87,-4.48,;24.54,-5.25,;27.21,-5.25,;28.54,-4.48,;29.88,-5.25,;28.53,-2.93,;27.2,-2.17,;27.19,-.63,;28.52,.15,;29.86,-.62,;31.19,.16,;32.6,-.46,;33.62,.69,;32.85,2.02,;31.34,1.69,)| Show InChI InChI=1S/C19H19Cl2N7O2/c1-23-19(29)27-9-12-14(10-27)25-18(22)26-17(12)16-13(21)7-11(20)8-15(16)30-6-5-28-4-2-3-24-28/h2-4,7-8H,5-6,9-10H2,1H3,(H,23,29)(H2,22,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scin...				J Med Chem 54: 3368-85 (2011) Article DOI: 10.1021/jm200128m BindingDB Entry DOI: 10.7270/Q2Z320M5
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