Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cystic fibrosis transmembrane conductance regulator' and Ligand = 'BDBM50482138'   

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))	BDBM50482138 (CHEMBL495336) Show SMILES COc1ccc(Cl)cc1Nc1nc-2c(CCCc3nc(NC(=O)C(C)(C)C)sc-23)s1 Show InChI InChI=1S/C21H23ClN4O2S2/c1-21(2,3)18(27)26-20-23-12-6-5-7-15-16(17(12)30-20)25-19(29-15)24-13-10-11(22)8-9-14(13)28-4/h8-10H,5-7H2,1-4H3,(H,24,25)(H,23,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Correction of defective trafficking of human deltaF508 mutant CFTR protein expressed in FRT epithelial cells coexpressing YFP-H148Q/I152L protein ass...				J Med Chem 57: 6729-38 (2014) Article DOI: 10.1021/jm5007885 BindingDB Entry DOI: 10.7270/Q2G163TK
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50482138 (CHEMBL495336) Show SMILES COc1ccc(Cl)cc1Nc1nc-2c(CCCc3nc(NC(=O)C(C)(C)C)sc-23)s1 Show InChI InChI=1S/C21H23ClN4O2S2/c1-21(2,3)18(27)26-20-23-12-6-5-7-15-16(17(12)30-20)25-19(29-15)24-13-10-11(22)8-9-14(13)28-4/h8-10H,5-7H2,1-4H3,(H,24,25)(H,23,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
University of Palermo Curated by ChEMBL					Assay Description Corrector activity at CFTR F508del mutant (unknown origin)				Eur J Med Chem 180: 430-448 (2019) Article DOI: 10.1016/j.ejmech.2019.07.037 BindingDB Entry DOI: 10.7270/Q2TT4VBP
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50482138 (CHEMBL495336) Show SMILES COc1ccc(Cl)cc1Nc1nc-2c(CCCc3nc(NC(=O)C(C)(C)C)sc-23)s1 Show InChI InChI=1S/C21H23ClN4O2S2/c1-21(2,3)18(27)26-20-23-12-6-5-7-15-16(17(12)30-20)25-19(29-15)24-13-10-11(22)8-9-14(13)28-4/h8-10H,5-7H2,1-4H3,(H,24,25)(H,23,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
University of California Davis Curated by ChEMBL					Assay Description Binding affinity to human CFTR F508 deletion mutant expressed in FRT cells assessed as increase in iodine influx after 16 to 20 hrs by fluorescence a...				J Med Chem 53: 3772-81 (2010) Article DOI: 10.1021/jm100235h BindingDB Entry DOI: 10.7270/Q2VD728K
					More data for this Ligand-Target Pair