Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50008259'   

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))	BDBM50008259 (CHEMBL3234770) Show SMILES CCNC(=O)c1nnn(c1-c1ccc(Cn2ccnc2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H26N6O3/c1-4-26-24(33)22-23(17-7-5-16(6-8-17)13-29-10-9-25-14-29)30(28-27-22)19-11-18(15(2)3)20(31)12-21(19)32/h5-12,14-15,31-32H,4,13H2,1-3H3,(H,26,33)	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	23	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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