Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50340249'   

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))	BDBM50340249 (CHEMBL1760602) Show SMILES Cc1c2CCCNCCNc3cc(ccc3C(N)=O)-n2c2CC(C)(C)CC(=O)c12 Show InChI InChI=1S/C23H30N4O2/c1-14-18-5-4-8-25-9-10-26-17-11-15(6-7-16(17)22(24)29)27(18)19-12-23(2,3)13-20(28)21(14)19/h6-7,11,25-26H,4-5,8-10,12-13H2,1-3H3,(H2,24,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90alpha after 3 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 21: 2278-82 (2011) Article DOI: 10.1016/j.bmcl.2011.02.101 BindingDB Entry DOI: 10.7270/Q2RF5VBN
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