Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50164971'   

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))	BDBM50164971 ((R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoqu...) Show SMILES CCCCOc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1 Show InChI InChI=1S/C33H32N2O4/c1-2-3-20-38-28-18-16-27(17-19-28)34-32(36)31-22-24-10-7-8-11-26(24)23-35(31)33(37)25-12-9-15-30(21-25)39-29-13-5-4-6-14-29/h4-19,21,31H,2-3,20,22-23H2,1H3,(H,34,36)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	145	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Effective concentration for cellular chloride transport in C127 mouse epithelial cell transfected with recombinant Delta F508 CFTR				Bioorg Med Chem Lett 15: 2087-91 (2005) Article DOI: 10.1016/j.bmcl.2005.02.041 BindingDB Entry DOI: 10.7270/Q2J965WP
					More data for this Ligand-Target Pair