Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 391.3 BDBM50232947

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50232947 (CHEMBL4097540) Show SMILES CCN(CC)c1nc(Nc2ccc(F)cc2)nc(OCC(F)(F)C(F)F)n1 Show InChI InChI=1S/C16H18F5N5O/c1-3-26(4-2)14-23-13(22-11-7-5-10(17)6-8-11)24-15(25-14)27-9-16(20,21)12(18)19/h5-8,12H,3-4,9H2,1-2H3,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.80E+3	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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