Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50035585'   

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))	BDBM50035585 (CHEMBL3357139) Show SMILES CC(C)(C)c1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 Show InChI InChI=1S/C20H20N2O2/c1-20(2,3)13-8-10-14(11-9-13)22-19(24)16-12-21-17-7-5-4-6-15(17)18(16)23/h4-12H,1-3H3,(H,21,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc Curated by ChEMBL					Assay Description Potentiation of human CFTR F508del mutant expressed in mouse NIH-3T3 cells after 30 mins by fluorescent voltage sensing optical assay				J Med Chem 57: 9776-95 (2014) Article DOI: 10.1021/jm5012808 BindingDB Entry DOI: 10.7270/Q2TH8P9K
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