Compile Data Set for Download or QSAR

Found 19 hits of kd for UniProtKB: P13569   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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))	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	700	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx				Bioorg Med Chem Lett 18: 2610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.037 BindingDB Entry DOI: 10.7270/Q21V5HRH
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50478374 (CHEMBL258749) Show SMILES CCOc1ccccc1Nc1nc(cs1)-c1sc(NC(=O)C(C)(C)C)nc1C Show InChI InChI=1S/C20H24N4O2S2/c1-6-26-15-10-8-7-9-13(15)22-18-23-14(11-27-18)16-12(2)21-19(28-16)24-17(25)20(3,4)5/h7-11H,6H2,1-5H3,(H,22,23)(H,21,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx				Bioorg Med Chem Lett 18: 2610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.037 BindingDB Entry DOI: 10.7270/Q21V5HRH
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50478369 (CHEMBL258536) Show SMILES Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1-c1csc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C20H14ClN5O3S2/c1-11-17(16-10-30-19(24-16)23-14-6-4-13(21)5-7-14)31-20(22-11)25-18(27)12-2-8-15(9-3-12)26(28)29/h2-10H,1H3,(H,23,24)(H,22,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx				Bioorg Med Chem Lett 18: 2610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.037 BindingDB Entry DOI: 10.7270/Q21V5HRH
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50289704 (CHEMBL260775) Show SMILES COc1ccc(Cl)cc1Nc1nc(cs1)-c1sc(NC(=O)c2ccccc2)nc1C Show InChI InChI=1S/C21H17ClN4O2S2/c1-12-18(30-21(23-12)26-19(27)13-6-4-3-5-7-13)16-11-29-20(25-16)24-15-10-14(22)8-9-17(15)28-2/h3-11H,1-2H3,(H,24,25)(H,23,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx				Bioorg Med Chem Lett 18: 2610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.037 BindingDB Entry DOI: 10.7270/Q21V5HRH
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50478372 (CHEMBL262629) Show SMILES Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1csc(Nc2ccc(C)cc2)n1 Show InChI InChI=1S/C21H17ClN4OS2/c1-12-3-9-16(10-4-12)24-20-25-17(11-28-20)18-13(2)23-21(29-18)26-19(27)14-5-7-15(22)8-6-14/h3-11H,1-2H3,(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	1.10E+3	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx				Bioorg Med Chem Lett 18: 2610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.037 BindingDB Entry DOI: 10.7270/Q21V5HRH
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50478371 (CHEMBL262886) Show SMILES COc1ccc(OC)c(Nc2nc(cs2)-c2sc(NC(=O)c3ccc(Cl)cc3)nc2C)c1 Show InChI InChI=1S/C22H19ClN4O3S2/c1-12-19(32-22(24-12)27-20(28)13-4-6-14(23)7-5-13)17-11-31-21(26-17)25-16-10-15(29-2)8-9-18(16)30-3/h4-11H,1-3H3,(H,25,26)(H,24,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx				Bioorg Med Chem Lett 18: 2610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.037 BindingDB Entry DOI: 10.7270/Q21V5HRH
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50478370 (CHEMBL258750) Show SMILES Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1csc(Nc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C20H14Cl2N4OS2/c1-11-17(16-10-28-19(25-16)24-15-8-6-14(22)7-9-15)29-20(23-11)26-18(27)12-2-4-13(21)5-3-12/h2-10H,1H3,(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	1.10E+3	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx				Bioorg Med Chem Lett 18: 2610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.037 BindingDB Entry DOI: 10.7270/Q21V5HRH
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50478368 (CHEMBL411307) Show SMILES COc1ccccc1Nc1nc(cs1)-c1sc(NC(=O)C(C)(C)C)nc1C Show InChI InChI=1S/C19H22N4O2S2/c1-11-15(27-18(20-11)23-16(24)19(2,3)4)13-10-26-17(22-13)21-12-8-6-7-9-14(12)25-5/h6-10H,1-5H3,(H,21,22)(H,20,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx				Bioorg Med Chem Lett 18: 2610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.037 BindingDB Entry DOI: 10.7270/Q21V5HRH
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50478373 (CHEMBL260774) Show SMILES CCCCCCC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cc(OC)ccc2OC)n1 Show InChI InChI=1S/C22H28N4O3S2/c1-5-6-7-8-9-19(27)26-22-23-14(2)20(31-22)17-13-30-21(25-17)24-16-12-15(28-3)10-11-18(16)29-4/h10-13H,5-9H2,1-4H3,(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	1.10E+3	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Corrector activity at human CFTR deltaF508 mutant expressed in FRT cells assessed as iodide influx				Bioorg Med Chem Lett 18: 2610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.03.037 BindingDB Entry DOI: 10.7270/Q21V5HRH
					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))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sensorchip-immobilized human His-tagged CFTR F508 deletion mutant by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113186 BindingDB Entry DOI: 10.7270/Q2571GS2
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50556431 (CHEMBL4762900) Show SMILES CCCOc1ccc(cc1)C(=O)c1sc(NC(=O)C2(CC2)c2ccc3OCOc3c2)nc1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.82E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to His-tagged human CFTR-F508del mutant by surface plasmon resonance assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112833 BindingDB Entry DOI: 10.7270/Q2K64NR6
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50289703 (Lumacaftor | VRT 826809 | VRT-826809 | VX 809 | VX...) Show SMILES Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	4.78E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sensorchip-immobilized human His-tagged CFTR F508 deletion mutant by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113186 BindingDB Entry DOI: 10.7270/Q2571GS2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50217942 (2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chr...) Show SMILES C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(O)c4c(cc(O)cc4=O)oc3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-30,32-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	6.58E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sensorchip-immobilized human His-tagged CFTR F508 deletion mutant by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113186 BindingDB Entry DOI: 10.7270/Q2571GS2
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50289703 (Lumacaftor | VRT 826809 | VRT-826809 | VX 809 | VX...) Show SMILES Cc1ccc(NC(=O)C2(CC2)c2ccc3OC(F)(F)Oc3c2)nc1-c1cccc(c1)C(O)=O Show InChI InChI=1S/C24H18F2N2O5/c1-13-5-8-19(27-20(13)14-3-2-4-15(11-14)21(29)30)28-22(31)23(9-10-23)16-6-7-17-18(12-16)33-24(25,26)32-17/h2-8,11-12H,9-10H2,1H3,(H,29,30)(H,27,28,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	7.28E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to His-tagged human CFTR-F508del mutant by surface plasmon resonance assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112833 BindingDB Entry DOI: 10.7270/Q2K64NR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50556434 (CHEMBL4763661) Show SMILES O=C(Nc1nc(c(s1)C(=O)c1ccc(cc1)-c1ccccc1)-c1ccccc1)C1(CC1)c1ccc2OCOc2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.93E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to His-tagged human CFTR-F508del mutant by surface plasmon resonance assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112833 BindingDB Entry DOI: 10.7270/Q2K64NR6
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM14777 ((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...) Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.75E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sensorchip-immobilized human His-tagged CFTR F508 deletion mutant by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113186 BindingDB Entry DOI: 10.7270/Q2571GS2
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50043280 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.89E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to sensorchip-immobilized human His-tagged CFTR F508 deletion mutant by surface plasmon resonance analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113186 BindingDB Entry DOI: 10.7270/Q2571GS2
					More data for this Ligand-Target Pair