Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 427.3 BDBM50244715

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))	BDBM50244715 (4-((3-(4-fluoro-3-(trifluoromethyl)phenyl)-4-oxo-2...) Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2ccc(F)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H9F4NO3S2/c19-13-6-5-11(8-12(13)18(20,21)22)23-15(24)14(28-17(23)27)7-9-1-3-10(4-2-9)16(25)26/h1-8H,(H,25,26)/b14-7-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human wild type CFTR expressed in rat FRT cells assessed as chloride current by short-circuit current measurements				Bioorg Med Chem 16: 8187-95 (2008) Article DOI: 10.1016/j.bmc.2008.07.044 BindingDB Entry DOI: 10.7270/Q27M07S6
					More data for this Ligand-Target Pair