Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-beta' and Ligand = 'BDBM50361708'   

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))	BDBM50361708 (CHEMBL1941057) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCNCC1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H31N5O5/c1-4-28-26(35)23-22(24(36-30-23)19-13-18(15(2)3)20(32)14-21(19)33)29-25(34)16-5-7-17(8-6-16)31-11-9-27-10-12-31/h5-8,13-15,27,32-33H,4,9-12H2,1-3H3,(H,28,35)(H,29,34)	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	32	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