Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50231893'   

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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50231893 (2-(4-carboxybutyl)-3-(hydroxymethyl)-5-methyl-1-ph...) Show SMILES Cc1cc2c(CO)c(CCCCC(O)=O)n(CCc3ccccc3)c2cc1C(O)=O Show InChI InChI=1S/C24H27NO5/c1-16-13-19-20(15-26)21(9-5-6-10-23(27)28)25(22(19)14-18(16)24(29)30)12-11-17-7-3-2-4-8-17/h2-4,7-8,13-14,26H,5-6,9-12,15H2,1H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Children's Research Hospital Curated by ChEMBL					Assay Description Binding affinity to GST tagged human CFTR PDZ2 domain				Bioorg Med Chem Lett 18: 942-5 (2008) Article DOI: 10.1016/j.bmcl.2007.12.038 BindingDB Entry DOI: 10.7270/Q2DJ5FC2
					More data for this Ligand-Target Pair