Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50008249'   

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))	BDBM50008249 (CHEMBL3234760) Show SMILES CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C28H31N5O2/c1-20(2)24-16-25(28(35)17-27(24)34)33-26(18-29-30-33)22-10-8-21(9-11-22)19-31-12-14-32(15-13-31)23-6-4-3-5-7-23/h3-11,16-18,20,34-35H,12-15,19H2,1-2H3	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	36	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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