Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'van der plas' and Initial = 'se'   

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))	BDBM300426 (US10130622, Example 00005) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C Show InChI InChI=1S/C26H34FN5O5S/c1-17(2)24-23-22(31-11-9-18(10-12-31)16-37-4)15-21(26(33)30-38(34,35)14-13-36-3)28-25(23)32(29-24)20-7-5-19(27)6-8-20/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator [G550E] (Homo sapiens (Human))	BDBM300426 (US10130622, Example 00005) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C Show InChI InChI=1S/C26H34FN5O5S/c1-17(2)24-23-22(31-11-9-18(10-12-31)16-37-4)15-21(26(33)30-38(34,35)14-13-36-3)28-25(23)32(29-24)20-7-5-19(27)6-8-20/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description YFP-Halide Influx Assay for the CFTR-ΔF508 Mutation and Suppressor mutants (I539T or G550E)The YFP halide influx assay measures the functionalit...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300426 (US10130622, Example 00005) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(COC)CC2)c2c(nn(-c3ccc(F)cc3)c2n1)C(C)C Show InChI InChI=1S/C26H34FN5O5S/c1-17(2)24-23-22(31-11-9-18(10-12-31)16-37-4)15-21(26(33)30-38(34,35)14-13-36-3)28-25(23)32(29-24)20-7-5-19(27)6-8-20/h5-8,15,17-18H,9-14,16H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300427 (US10130622, Example 00006) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(CC2)OC)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C26H33N5O5S/c1-35-15-16-37(33,34)29-26(32)21-17-22(30-13-11-20(36-2)12-14-30)23-24(18-7-6-8-18)28-31(25(23)27-21)19-9-4-3-5-10-19/h3-5,9-10,17-18,20H,6-8,11-16H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300428 (BDBM300430 | US10130622, Example 00007) Show SMILES CS(=O)(=O)NC(=O)c1cc(-c2ccc(nc2)N2CCC(CC2)C#N)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C29H29N7O3S/c1-40(38,39)34-29(37)24-16-23(21-10-11-25(31-18-21)35-14-12-19(17-30)13-15-35)26-27(20-6-5-7-20)33-36(28(26)32-24)22-8-3-2-4-9-22/h2-4,8-11,16,18-20H,5-7,12-15H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator [G550E] (Homo sapiens (Human))	BDBM300427 (US10130622, Example 00006) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(CC2)OC)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C26H33N5O5S/c1-35-15-16-37(33,34)29-26(32)21-17-22(30-13-11-20(36-2)12-14-30)23-24(18-7-6-8-18)28-31(25(23)27-21)19-9-4-3-5-10-19/h3-5,9-10,17-18,20H,6-8,11-16H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description YFP-Halide Influx Assay for the CFTR-ΔF508 Mutation and Suppressor mutants (I539T or G550E)The YFP halide influx assay measures the functionalit...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator [G550E] (Homo sapiens (Human))	BDBM300428 (BDBM300430 | US10130622, Example 00007) Show SMILES CS(=O)(=O)NC(=O)c1cc(-c2ccc(nc2)N2CCC(CC2)C#N)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C29H29N7O3S/c1-40(38,39)34-29(37)24-16-23(21-10-11-25(31-18-21)35-14-12-19(17-30)13-15-35)26-27(20-6-5-7-20)33-36(28(26)32-24)22-8-3-2-4-9-22/h2-4,8-11,16,18-20H,5-7,12-15H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	496	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description YFP-Halide Influx Assay for the CFTR-ΔF508 Mutation and Suppressor mutants (I539T or G550E)The YFP halide influx assay measures the functionalit...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300428 (BDBM300430 | US10130622, Example 00007) Show SMILES CS(=O)(=O)NC(=O)c1cc(-c2ccc(nc2)N2CCC(CC2)C#N)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C29H29N7O3S/c1-40(38,39)34-29(37)24-16-23(21-10-11-25(31-18-21)35-14-12-19(17-30)13-15-35)26-27(20-6-5-7-20)33-36(28(26)32-24)22-8-3-2-4-9-22/h2-4,8-11,16,18-20H,5-7,12-15H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300427 (US10130622, Example 00006) Show SMILES COCCS(=O)(=O)NC(=O)c1cc(N2CCC(CC2)OC)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C26H33N5O5S/c1-35-15-16-37(33,34)29-26(32)21-17-22(30-13-11-20(36-2)12-14-30)23-24(18-7-6-8-18)28-31(25(23)27-21)19-9-4-3-5-10-19/h3-5,9-10,17-18,20H,6-8,11-16H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>6.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description For this purpose, HEK293 cells are transfected with plasmid DNA containing WT CFTR and seeded in 96 well plates (70,000 HEK cells/well). Two days aft...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566248 (CHEMBL4790007) Show SMILES CN(Cc1ccccc1)S(=O)(=O)c1cc(C(N)=O)c(NC(=O)c2ccn[nH]2)s1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566249 (CHEMBL4795314) Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccn[nH]1)S(=O)(=O)N1CCCCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566250 (CHEMBL4784536) Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccn[nH]1)S(=O)(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50566257 (CHEMBL4785210) Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human ERG by manual patch clamp assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566252 (CHEMBL4777140) Show SMILES NC(=O)c1cc(sc1NC(=O)C1(O)CC1)S(=O)(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	79	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566253 (CHEMBL4782437) Show SMILES CC(C)(O)C(=O)Nc1sc(cc1C(N)=O)S(=O)(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566254 (CHEMBL4781656) Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(C(N)=O)c(NC(=O)C(C)(C)O)s1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566255 (CHEMBL4793801) Show SMILES CC(C)(O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	33	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566256 (CHEMBL4798183) Show SMILES Nc1cc(cnc1C(=O)NC[C@@H](O)C(F)(F)F)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.40	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566257 (CHEMBL4785210) Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566258 (CHEMBL4787310) Show SMILES Nc1cc(cnc1C(=O)NCC1(O)CC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566259 (CHEMBL4795705) Show SMILES Nc1cc(cnc1C(=O)NC[C@@H](O)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.80	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566260 (CHEMBL4787733) Show SMILES CN(C[C@@H](O)C(F)(F)F)C(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566261 (CHEMBL4789045) Show SMILES Nc1cc(cnc1C(=O)N1CCC[C@H]1CO)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566262 (CHEMBL4799994) Show SMILES Nc1cc(cnc1C(=O)N1CC(O)(C1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566263 (CHEMBL4776653) Show SMILES Nc1cc(cnc1C(=O)NC[C@@H](O)C(F)(F)F)S(=O)(=O)c1ccccc1OC(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<0.310	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566264 (CHEMBL4781857) Show SMILES Nc1cc(cnc1C(=O)NCC(O)C(F)(F)F)S(=O)(=O)N1CCC(CC1)OC(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566254 (CHEMBL4781656) Show SMILES COc1ccc(cc1)S(=O)(=O)c1cc(C(N)=O)c(NC(=O)C(C)(C)O)s1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	478	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR G551D mutant (unknown origin) expressed in human HEK293 cells co-expressing YFP incubated for 10 mins by halide potentiator assa...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566257 (CHEMBL4785210) Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant in human HBE cells by trans-epithelial clamp circuit assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50566257 (CHEMBL4785210) Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP1A2 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50566257 (CHEMBL4785210) Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C19 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50566257 (CHEMBL4785210) Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2C9 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50566257 (CHEMBL4785210) Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP2D6 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50566257 (CHEMBL4785210) Show SMILES C[C@H](O)CNC(=O)c1ncc(cc1N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CYP3A4 (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50185114 (2-(2-chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]th...) Show SMILES NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2CCCCc12 Show InChI InChI=1S/C16H15ClN2O2S/c17-11-7-3-1-5-9(11)15(21)19-16-13(14(18)20)10-6-2-4-8-12(10)22-16/h1,3,5,7H,2,4,6,8H2,(H2,18,20)(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	326	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50246760 (CHEMBL4075348) Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Galapagos NV Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 61: 1425-1435 (2018) Article DOI: 10.1021/acs.jmedchem.7b01288 BindingDB Entry DOI: 10.7270/Q2Z03BK6
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50246760 (CHEMBL4075348) Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Galapagos NV Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				J Med Chem 61: 1425-1435 (2018) Article DOI: 10.1021/acs.jmedchem.7b01288 BindingDB Entry DOI: 10.7270/Q2Z03BK6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50246760 (CHEMBL4075348) Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a
Galapagos NV Curated by ChEMBL					Assay Description Inhibition of human ERG by manual patch clamp method				J Med Chem 61: 1425-1435 (2018) Article DOI: 10.1021/acs.jmedchem.7b01288 BindingDB Entry DOI: 10.7270/Q2Z03BK6
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50246760 (CHEMBL4075348) Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Galapagos NV Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				J Med Chem 61: 1425-1435 (2018) Article DOI: 10.1021/acs.jmedchem.7b01288 BindingDB Entry DOI: 10.7270/Q2Z03BK6
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50246760 (CHEMBL4075348) Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Galapagos NV Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 61: 1425-1435 (2018) Article DOI: 10.1021/acs.jmedchem.7b01288 BindingDB Entry DOI: 10.7270/Q2Z03BK6
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50246760 (CHEMBL4075348) Show SMILES CC1(C)Cc2c(sc(NC(=O)c3ccn[nH]3)c2C(N)=O)C(C)(C)O1 Show InChI InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Galapagos NV Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 61: 1425-1435 (2018) Article DOI: 10.1021/acs.jmedchem.7b01288 BindingDB Entry DOI: 10.7270/Q2Z03BK6
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300428 (BDBM300430 | US10130622, Example 00007) Show SMILES CS(=O)(=O)NC(=O)c1cc(-c2ccc(nc2)N2CCC(CC2)C#N)c2c(nn(-c3ccccc3)c2n1)C1CCC1 Show InChI InChI=1S/C29H29N7O3S/c1-40(38,39)34-29(37)24-16-23(21-10-11-25(31-18-21)35-14-12-19(17-30)13-15-35)26-27(20-6-5-7-20)33-36(28(26)32-24)22-8-3-2-4-9-22/h2-4,8-11,16,18-20H,5-7,12-15H2,1H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	20.2	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description To measure the direct binding of small molecules with CFTR, the interaction between small molecules and membrane fragments derived from HEK293 cells ...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM300429 (US10130622, Example 00008) Show SMILES CC(C)c1nn(-c2cc[nH]c(=O)c2)c2nc(cc(-c3ccc(cc3)N(C)C)c12)C(O)=O Show InChI InChI=1S/C23H23N5O3/c1-13(2)21-20-17(14-5-7-15(8-6-14)27(3)4)12-18(23(30)31)25-22(20)28(26-21)16-9-10-24-19(29)11-16/h5-13H,1-4H3,(H,24,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	9.66E+3	n/a	n/a	n/a	n/a	n/a
AbbVie S.á.r.l.; Galapagos NV US Patent					Assay Description To measure the direct binding of small molecules with CFTR, the interaction between small molecules and membrane fragments derived from HEK293 cells ...				US Patent US10130622 (2018) BindingDB Entry DOI: 10.7270/Q2KD20ZB
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50566251 (CHEMBL4776744) Show SMILES CC(C)(C)C(=O)Nc1sc(cc1C(N)=O)S(=O)(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	352	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in human CFBE41o- cells co-expressing YFP incubated for 10 mins by halide potentiator ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01796 BindingDB Entry DOI: 10.7270/Q2HQ43P7
					More data for this Ligand-Target Pair