Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'fettinger' and Initial = 'jc'   

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))	BDBM50434312 (CHEMBL2386374) Show SMILES Cn1c2c3[C@@H](Oc4ccc(cc4-n3c(-c3ccccc3)c2c(=O)n(C)c1=O)C([O-])=O)c1ccc(Br)o1 |r| Show InChI InChI=1S/C26H18BrN3O6/c1-28-21-19(24(31)29(2)26(28)34)20(13-6-4-3-5-7-13)30-15-12-14(25(32)33)8-9-16(15)36-23(22(21)30)17-10-11-18(27)35-17/h3-12,23H,1-2H3,(H,32,33)/p-1/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of wild type human CFTR chloride conductance expressed in forskolin-stimulated rat FRT cells by short-circuit current analysis in presence...				ACS Med Chem Lett 4: 456-459 (2013) Article DOI: 10.1021/ml400069k BindingDB Entry DOI: 10.7270/Q29888DW
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50482135 (CHEMBL1097860) Show SMILES Cc1nc(NC(=O)C(C)(C)C)sc1-c1cc(nn1CC=C)C(=O)NCc1ccccc1 Show InChI InChI=1S/C23H27N5O2S/c1-6-12-28-18(19-15(2)25-22(31-19)26-21(30)23(3,4)5)13-17(27-28)20(29)24-14-16-10-8-7-9-11-16/h6-11,13H,1,12,14H2,2-5H3,(H,24,29)(H,25,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50482136 (CHEMBL1097861) Show SMILES Cc1nc(NC(=O)C(C)(C)C)sc1-c1cc(nn1Cc1ccccc1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C27H29N5O2S/c1-18-23(35-26(29-18)30-25(34)27(2,3)4)22-15-21(24(33)28-16-19-11-7-5-8-12-19)31-32(22)17-20-13-9-6-10-14-20/h5-15H,16-17H2,1-4H3,(H,28,33)(H,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	750	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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50289962 (CHEMBL1098166) Show SMILES COc1ccc(NC(=O)c2cc(-c3sc(NC(=O)C(C)(C)C)nc3C)n(n2)-c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C26H26BrN5O3S/c1-15-22(36-25(28-15)30-24(34)26(2,3)4)21-14-20(31-32(21)18-10-6-16(27)7-11-18)23(33)29-17-8-12-19(35-5)13-9-17/h6-14H,1-5H3,(H,29,33)(H,28,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.40E+3	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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50482141 (CHEMBL1098233) Show SMILES COc1ccc(Cl)cc1Cn1nc(cc1-c1sc(NC(=O)C(C)(C)C)nc1C)C(=O)NCCO Show InChI InChI=1S/C23H28ClN5O4S/c1-13-19(34-22(26-13)27-21(32)23(2,3)4)17-11-16(20(31)25-8-9-30)28-29(17)12-14-10-15(24)6-7-18(14)33-5/h6-7,10-11,30H,8-9,12H2,1-5H3,(H,25,31)(H,26,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.00E+3	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
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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50482139 (CHEMBL1098499) Show SMILES COc1ccc(NC(=O)c2cc(-c3sc(NC(=O)C(C)(C)C)nc3C)n(Cc3cc(Cl)ccc3OC)n2)cc1 Show InChI InChI=1S/C28H30ClN5O4S/c1-16-24(39-27(30-16)32-26(36)28(2,3)4)22-14-21(25(35)31-19-8-10-20(37-5)11-9-19)33-34(22)15-17-13-18(29)7-12-23(17)38-6/h7-14H,15H2,1-6H3,(H,31,35)(H,30,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM100205 (MLS000561583 | N-[5-[2-(5-chloro-2-methoxy-anilino...) Show SMILES COc1ccc(Cl)cc1Nc1nc(cs1)-c1sc(NC(=O)C(C)(C)C)nc1C Show InChI InChI=1S/C19H21ClN4O2S2/c1-10-15(28-18(21-10)24-16(25)19(2,3)4)13-9-27-17(23-13)22-12-8-11(20)6-7-14(12)26-5/h6-9H,1-5H3,(H,22,23)(H,21,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	700	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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50482140 (CHEMBL1096523) Show SMILES COc1ccc(Cl)cc1Cn1nc(cc1-c1sc(NC(=O)C(C)(C)C)nc1C)C(=O)N1CCOCC1 Show InChI InChI=1S/C25H30ClN5O4S/c1-15-21(36-24(27-15)28-23(33)25(2,3)4)19-13-18(22(32)30-8-10-35-11-9-30)29-31(19)14-16-12-17(26)6-7-20(16)34-5/h6-7,12-13H,8-11,14H2,1-5H3,(H,27,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50482134 (CHEMBL1099214) Show SMILES CCOC(=O)c1cc(nn1Cc1ccccc1)-c1sc(NC(=O)C(C)(C)C)nc1C Show InChI InChI=1S/C22H26N4O3S/c1-6-29-19(27)17-12-16(25-26(17)13-15-10-8-7-9-11-15)18-14(2)23-21(30-18)24-20(28)22(3,4)5/h7-12H,6,13H2,1-5H3,(H,23,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.50E+3	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
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50482137 (CHEMBL1098779) Show SMILES COc1ccc(NC(=O)c2cc(-c3sc(NC(=O)C(C)(C)C)nc3C)n(CC=C)n2)cc1 Show InChI InChI=1S/C23H27N5O3S/c1-7-12-28-18(19-14(2)24-22(32-19)26-21(30)23(3,4)5)13-17(27-28)20(29)25-15-8-10-16(31-6)11-9-15/h7-11,13H,1,12H2,2-6H3,(H,25,29)(H,24,26,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	930	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