Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50232961'   

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))	BDBM50232961 (CHEMBL4097188) Show SMILES CNc1nc(Nc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1 Show InChI InChI=1S/C13H11F6N5O/c1-20-9-22-10(21-7-5-3-2-4-6-7)24-11(23-9)25-8(12(14,15)16)13(17,18)19/h2-6,8H,1H3,(H2,20,21,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Activation of human CFTR expressed in FRT cells co-expressing YFP assessed as increase in forskolin-stimulated iodide influx measured after 10 mins f...				J Med Chem 60: 1210-1218 (2017) Article DOI: 10.1021/acs.jmedchem.6b01792 BindingDB Entry DOI: 10.7270/Q2ZC8540
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