Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50361712'   

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-beta (Homo sapiens (Human))	BDBM50361712 (CHEMBL1941061) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1cc(CC)on1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H24N4O6/c1-5-11-7-14(24-30-11)20(28)23-17-18(21(29)22-6-2)25-31-19(17)13-8-12(10(3)4)15(26)9-16(13)27/h7-10,26-27H,5-6H2,1-4H3,(H,22,29)(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
					More data for this Ligand-Target Pair