Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 409.4 BDBM50244985

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))	BDBM50244985 (3-((4-oxo-2-thioxo-3-(2-(trifluoromethyl)phenyl)th...) Show SMILES OC(=O)c1cccc(\C=C2/SC(=S)N(C2=O)c2ccccc2C(F)(F)F)c1 Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-6-1-2-7-13(12)22-15(23)14(27-17(22)26)9-10-4-3-5-11(8-10)16(24)25/h1-9H,(H,24,25)/b14-9-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	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
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