Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50008242'   

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))	BDBM50008242 (CHEMBL3235115) Show SMILES CC(C)c1cc(c(O)cc1O)-n1nnc(C(=O)NC2CCCCC2)c1-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C29H37N5O4/c1-19(2)23-16-24(26(36)17-25(23)35)34-28(27(31-32-34)29(37)30-22-6-4-3-5-7-22)21-10-8-20(9-11-21)18-33-12-14-38-15-13-33/h8-11,16-17,19,22,35-36H,3-7,12-15,18H2,1-2H3,(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	95	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
					More data for this Ligand-Target Pair