Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50008246'   

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))	BDBM50008246 (CHEMBL3235119) Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(OC(C)=O)cc1OC(C)=O Show InChI InChI=1S/C29H35N5O6/c1-6-30-29(37)27-28(22-9-7-21(8-10-22)17-33-11-13-38-14-12-33)34(32-31-27)24-15-23(18(2)3)25(39-19(4)35)16-26(24)40-20(5)36/h7-10,15-16,18H,6,11-14,17H2,1-5H3,(H,30,37)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assay				J Med Chem 57: 2258-74 (2014) Article DOI: 10.1021/jm401536b BindingDB Entry DOI: 10.7270/Q2JQ12HR
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