Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50244767'   

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))	BDBM50244767 (4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...) Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of CFTR				J Med Chem 52: 6447-55 (2009) Article DOI: 10.1021/jm9009873 BindingDB Entry DOI: 10.7270/Q28W3DHW
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50244767 (4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...) Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of CFTR				J Med Chem 54: 5468-77 (2011) Article DOI: 10.1021/jm200505e BindingDB Entry DOI: 10.7270/Q2280809
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50244767 (4-((4-oxo-2-thioxo-3-(3-(trifluoromethyl)phenyl)th...) Show SMILES OC(=O)c1ccc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C18H10F3NO3S2/c19-18(20,21)12-2-1-3-13(9-12)22-15(23)14(27-17(22)26)8-10-4-6-11(7-5-10)16(24)25/h1-9H,(H,24,25)/b14-8-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	380	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