Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50008250'   

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))	BDBM50008250 (CHEMBL3234761) Show SMILES CC(C)c1cc(c(O)cc1O)-n1nncc1-c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H33N5O2/c1-21(2)25-16-26(29(36)17-28(25)35)34-27(18-30-31-34)24-10-8-23(9-11-24)20-33-14-12-32(13-15-33)19-22-6-4-3-5-7-22/h3-11,16-18,21,35-36H,12-15,19-20H2,1-2H3	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	27	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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