Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'rowlands' and Initial = 'd'   

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
Beta-lactamase (Escherichia coli)	BDBM50145406 ((1S,5S)-3-Methoxy-7-oxo-1-aza-bicyclo[3.2.1]oct-3-...) Show SMILES COC1=C[C@H]2C[N@@](C1C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C2 |t:2| Show InChI InChI=1S/C16H16N2O6/c1-23-13-6-11-7-14(19)17(8-11)15(13)16(20)24-9-10-2-4-12(5-3-10)18(21)22/h2-6,11,15H,7-9H2,1H3/t11-,15?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aventis pharma Curated by ChEMBL					Assay Description Inhibition of hydrolysis of nitrocephin after 5 min pre-incubation with P99 beta-lactamases (class C)				Bioorg Med Chem Lett 14: 2489-92 (2004) Article DOI: 10.1016/j.bmcl.2004.03.004 BindingDB Entry DOI: 10.7270/Q2W37WWS
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50145401 ((1S,5R,6S)-6-Ethyl-3-methoxy-7-oxo-1-aza-bicyclo[3...) Show SMILES CC[C@H]1[C@@H]2C[N@](C1=O)C(C(O)=O)=C(C2)OC |c:12| Show InChI InChI=1S/C11H15NO4/c1-3-7-6-4-8(16-2)9(11(14)15)12(5-6)10(7)13/h6-7H,3-5H2,1-2H3,(H,14,15)/t6-,7-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis pharma Curated by ChEMBL					Assay Description Inhibition of hydrolysis of nitrocephin after 5 min pre-incubation with P99 beta-lactamases (class C)				Bioorg Med Chem Lett 14: 2489-92 (2004) Article DOI: 10.1016/j.bmcl.2004.03.004 BindingDB Entry DOI: 10.7270/Q2W37WWS
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50145404 ((1S,5S)-3-Methoxy-7-oxo-1-aza-bicyclo[3.2.1]oct-3-...) Show SMILES COC1=C[C@H]2C[N@@](C1C(O)=O)C(=O)C2 |t:2| Show InChI InChI=1S/C9H11NO4/c1-14-6-2-5-3-7(11)10(4-5)8(6)9(12)13/h2,5,8H,3-4H2,1H3,(H,12,13)/t5-,8?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis pharma Curated by ChEMBL					Assay Description Inhibition of hydrolysis of nitrocephin after 5 min pre-incubation with P99 beta-lactamases (class C)				Bioorg Med Chem Lett 14: 2489-92 (2004) Article DOI: 10.1016/j.bmcl.2004.03.004 BindingDB Entry DOI: 10.7270/Q2W37WWS
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50145405 ((1S,5R)-3-Methoxy-7-oxo-1-aza-bicyclo[3.2.1]oct-2-...) Show SMILES COC1=C([N@@]2C[C@@H](CC2=O)C1)C(=O)OCc1ccc(cc1)[N+]([O-])=O |t:2| Show InChI InChI=1S/C16H16N2O6/c1-23-13-6-11-7-14(19)17(8-11)15(13)16(20)24-9-10-2-4-12(5-3-10)18(21)22/h2-5,11H,6-9H2,1H3/t11-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis pharma Curated by ChEMBL					Assay Description Inhibition of hydrolysis of nitrocephin after 5 min pre-incubation with P99 beta-lactamases (class C)				Bioorg Med Chem Lett 14: 2489-92 (2004) Article DOI: 10.1016/j.bmcl.2004.03.004 BindingDB Entry DOI: 10.7270/Q2W37WWS
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50145400 ((1S,5R,6S)-6-Ethyl-3-methoxy-7-oxo-1-aza-bicyclo[3...) Show SMILES CC[C@H]1[C@@H]2C[N@@](C(C(=O)OCc3ccc(cc3)[N+]([O-])=O)C(OC)=C2)C1=O |c:23| Show InChI InChI=1S/C18H20N2O6/c1-3-14-12-8-15(25-2)16(19(9-12)17(14)21)18(22)26-10-11-4-6-13(7-5-11)20(23)24/h4-8,12,14,16H,3,9-10H2,1-2H3/t12-,14-,16?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis pharma Curated by ChEMBL					Assay Description Time dependent inhibition of hydrolysis of nitrocephin after 5 min pre-incubation with P99 beta-lactamases (class C)				Bioorg Med Chem Lett 14: 2489-92 (2004) Article DOI: 10.1016/j.bmcl.2004.03.004 BindingDB Entry DOI: 10.7270/Q2W37WWS
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50145402 ((1S,5R,6S)-6-Ethyl-3-methoxy-7-oxo-1-aza-bicyclo[3...) Show SMILES CC[C@H]1[C@@H]2C[N@](C1=O)C(C(=O)OCc1ccc(cc1)[N+]([O-])=O)=C(C2)OC |c:23| Show InChI InChI=1S/C18H20N2O6/c1-3-14-12-8-15(25-2)16(19(9-12)17(14)21)18(22)26-10-11-4-6-13(7-5-11)20(23)24/h4-7,12,14H,3,8-10H2,1-2H3/t12-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Aventis pharma Curated by ChEMBL					Assay Description Inhibition of hydrolysis of nitrocephin after 5 min pre-incubation with P99 beta-lactamases (class C)				Bioorg Med Chem Lett 14: 2489-92 (2004) Article DOI: 10.1016/j.bmcl.2004.03.004 BindingDB Entry DOI: 10.7270/Q2W37WWS
					More data for this Ligand-Target Pair
Beta-lactamase (Escherichia coli)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Aventis pharma Curated by ChEMBL					Assay Description Inhibition of hydrolysis of nitrocephin after 5 min pre-incubation with P99 beta-lactamases (class C)				Bioorg Med Chem Lett 14: 2489-92 (2004) Article DOI: 10.1016/j.bmcl.2004.03.004 BindingDB Entry DOI: 10.7270/Q2W37WWS
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	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	n/a	8.20E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581833 (CHEMBL1949980) Show SMILES CC(C)c1ccc(NC(=O)C(N(C)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1 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	390	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581834 (CHEMBL5080252) Show SMILES COC(=O)c1cc(-c2ccco2)c(cc1N)C(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	920	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubat...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	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	n/a	8.48E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581833 (CHEMBL1949980) Show SMILES CC(C)c1ccc(NC(=O)C(N(C)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1 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	1.25E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581834 (CHEMBL5080252) Show SMILES COC(=O)c1cc(-c2ccco2)c(cc1N)C(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	78	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581835 (CHEMBL5085731) Show SMILES COC(=O)c1ccc(cc1N)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.78E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581836 (CHEBI:73244 | METHYL ANTHRANILATE) Show SMILES COC(=O)c1ccccc1N Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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 Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581837 (CHEMBL5083598) Show SMILES COC(=O)c1cc(I)c(cc1N)C(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	362	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581838 (CHEMBL5085939) Show SMILES COC(=O)c1cc(-c2ncco2)c(cc1N)C(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	240	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581839 (CHEMBL5076850) Show SMILES COC(=O)c1cc(-c2cccnc2)c(cc1N)C(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	329	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581840 (CHEMBL5091133) Show SMILES COC(=O)c1cc(C2CCCO2)c(cc1N)C(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	462	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581841 (CHEMBL5085858) Show SMILES COC(=O)c1nc(-c2ccco2)c(cc1N)C(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	5.31E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581842 (CHEMBL5077730) Show SMILES Nc1cc(c(cc1C(O)=O)-c1ccco1)C(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	5.83E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581843 (CHEMBL5085049) Show SMILES CNC(=O)c1cc(-c2ccco2)c(cc1N)C(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	1.86E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581844 (CHEMBL5077005) Show SMILES CN(C)C(=O)c1cc(-c2ccco2)c(cc1N)C(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	3.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581845 (CHEMBL5086285) Show SMILES CNC(=O)c1nc(Br)c(cc1N)C(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	250	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581846 (CHEMBL5093146) Show SMILES Nc1cc(c(Br)nc1C(=O)NCCC(F)(F)F)C(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	40	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581847 (CHEMBL5082261) Show SMILES CC(O)CNC(=O)c1nc(Br)c(cc1N)C(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	70	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581848 (CHEMBL5081202) Show SMILES Nc1cc(c(Br)nc1C(=O)NC[C@H](O)C(F)(F)F)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	23	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581849 (CHEMBL5087757) Show SMILES Nc1cc(c(Br)nc1C(=O)NC[C@@H](O)C(F)(F)F)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	9	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM297398 (3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carbo...) Show SMILES C[C@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM297396 (3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carbo...) Show SMILES C[C@@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581850 (CHEMBL5071764) Show SMILES CC(C)(O)CNC(=O)c1nc(Br)c(cc1N)C(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	77	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581851 (CHEMBL5075860) Show SMILES Nc1cc(c(Br)nc1C(=O)NCC(O)(C(F)(F)F)C(F)(F)F)C(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	10	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581852 (CHEMBL5079547) Show SMILES CC(O)(CNC(=O)c1ncc(cc1N)C(F)(F)F)C(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	229	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581853 (CHEMBL5083308) Show SMILES Cc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(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	240	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581854 (CHEMBL5076312) Show SMILES CCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(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	8	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581854 (CHEMBL5076312) Show SMILES CCc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(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	8	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM297409 (US10117858, Example 16 | US20240058315, Example 17) Show SMILES C[C@](O)(CNC(=O)c1nc(c(cc1N)C(F)(F)F)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C12H10F9N3O2/c1-9(26,12(19,20)21)3-23-8(25)6-5(22)2-4(10(13,14)15)7(24-6)11(16,17)18/h2,26H,3,22H2,1H3,(H,23,25)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581855 (CHEMBL5075105) Show SMILES CNc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(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	276	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581855 (CHEMBL5075105) Show SMILES CNc1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(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	276	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581856 (CHEMBL5082569) Show SMILES CN(C)c1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(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	20	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581856 (CHEMBL5082569) Show SMILES CN(C)c1nc(C(=O)NCC(C)(O)C(F)(F)F)c(N)cc1C(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	20	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581857 (CHEMBL5075769) Show SMILES CCOc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(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	15	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM297402 (US10117858, Example 5 | US20240058315, Example 5) Show SMILES COc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	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	n/a	6.17E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581833 (CHEMBL1949980) Show SMILES CC(C)c1ccc(NC(=O)C(N(C)C(=O)Cc2c[nH]c3ccccc23)c2ccccc2)cc1 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	260	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50581834 (CHEMBL5080252) Show SMILES COC(=O)c1cc(-c2ccco2)c(cc1N)C(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	180	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM297398 (3-Amino-6-bromo-5-trifluoromethyl-pyridine-2-carbo...) Show SMILES C[C@](O)(CNC(=O)c1nc(Br)c(cc1N)C(F)(F)F)C(F)(F)F |r| Show InChI InChI=1S/C11H10BrF6N3O2/c1-9(23,11(16,17)18)3-20-8(22)6-5(19)2-4(7(12)21-6)10(13,14)15/h2,23H,3,19H2,1H3,(H,20,22)/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM297402 (US10117858, Example 5 | US20240058315, Example 5) Show SMILES COc1nc(C(=O)NC[C@](C)(O)C(F)(F)F)c(N)cc1C(F)(F)F |r| Show InChI InChI=1S/C12H13F6N3O3/c1-10(23,12(16,17)18)4-20-8(22)7-6(19)3-5(11(13,14)15)9(21-7)24-2/h3,23H,4,19H2,1-2H3,(H,20,22)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE 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 FRT cells assessed as chloride transport by measuring membrane potential in presenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM50032693 (CHEBI:66901 | Ivacaftor | Kalydeco | VX-770) Show SMILES CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C Show InChI InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of CFTR F508del mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presenc...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cystic fibrosis transmembrane conductance regulator (Homo sapiens (Human))	BDBM19459 (5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...) Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H	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	n/a	1.42E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Potentiation of wild-type CFTR (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00343 BindingDB Entry DOI: 10.7270/Q2M0499G
					More data for this Ligand-Target Pair

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