Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50008238'   

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))	BDBM50008238 (CHEMBL3235111) Show SMILES CCNC(=O)c1nnn(c1-c1ccc(CNC2CCN(C)CC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H36N6O3/c1-5-28-27(36)25-26(33(31-30-25)22-14-21(17(2)3)23(34)15-24(22)35)19-8-6-18(7-9-19)16-29-20-10-12-32(4)13-11-20/h6-9,14-15,17,20,29,34-35H,5,10-13,16H2,1-4H3,(H,28,36)	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	32	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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