Found 115 hits with Last Name = 'wittington' and Initial = 'ar' 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 |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50211857
(2-[(3-chlorophenyl)amino]-n-(4-pyridinylmethyl)-4-...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C18H13ClF3N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211857
(2-[(3-chlorophenyl)amino]-n-(4-pyridinylmethyl)-4-...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C18H13ClF3N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50211848
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211857
(2-[(3-chlorophenyl)amino]-n-(4-pyridinylmethyl)-4-...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCc1ccncc1 Show InChI InChI=1S/C18H13ClF3N5O/c19-12-2-1-3-13(8-12)26-17-25-10-14(15(27-17)18(20,21)22)16(28)24-9-11-4-6-23-7-5-11/h1-8,10H,9H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211860
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211848
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211859
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1 Show InChI InChI=1S/C18H18ClF3N4O/c19-12-6-3-7-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,23,27)(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50211848
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50211860
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211848
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50211855
(2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...)Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211860
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211845
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211846
(2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...)Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211846
(2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...)Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50211846
(2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...)Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211848
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES Fc1ccc(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H13ClF4N4O/c20-12-2-1-3-14(8-12)27-18-26-10-15(16(28-18)19(22,23)24)17(29)25-9-11-4-6-13(21)7-5-11/h1-8,10H,9H2,(H,25,29)(H,26,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211849
(2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrim...)Show SMILES FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50211846
(2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...)Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211859
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1 Show InChI InChI=1S/C18H18ClF3N4O/c19-12-6-3-7-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,23,27)(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211849
(2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrim...)Show SMILES FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211846
(2-(3-chlorophenylamino)-4-carboxylic acid (1-hydro...)Show SMILES OC1(CNC(=O)c2cnc(Nc3cccc(Cl)c3)nc2C(F)(F)F)CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O2/c20-12-5-4-6-13(9-12)26-17-24-10-14(15(27-17)19(21,22)23)16(28)25-11-18(29)7-2-1-3-8-18/h4-6,9-10,29H,1-3,7-8,11H2,(H,25,28)(H,24,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211844
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-12-2-1-3-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-6-28-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,23,27)(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211845
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50211860
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50211852
(2-(3,5-difluorophenylamino)-4-trifluoromethyl-pyri...)Show SMILES Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1 Show InChI InChI=1S/C18H17F5N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211855
(2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...)Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50211855
(2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...)Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211855
(2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...)Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211855
(2-(3,4-dichlorophenylamino)-4-trifluoromethylpyrim...)Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)c(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-13-2-1-11(7-14(13)20)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50211853
(2-(2-fluoro-5-chlorophenylamino)-4-trifluoromethyl...)Show SMILES Fc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-11-1-2-13(20)14(7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50211849
(2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrim...)Show SMILES FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50211859
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1 Show InChI InChI=1S/C18H18ClF3N4O/c19-12-6-3-7-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,23,27)(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211853
(2-(2-fluoro-5-chlorophenylamino)-4-trifluoromethyl...)Show SMILES Fc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-11-1-2-13(20)14(7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211849
(2-(3,5-dichlorophenylamino)-4-trifluoromethylpyrim...)Show SMILES FC(F)(F)c1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50211852
(2-(3,5-difluorophenylamino)-4-trifluoromethyl-pyri...)Show SMILES Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1 Show InChI InChI=1S/C18H17F5N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50211844
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-12-2-1-3-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-6-28-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,23,27)(H,24,25,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211844
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-12-2-1-3-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-6-28-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,23,27)(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211844
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H18ClF3N4O2/c19-12-2-1-3-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-6-28-7-5-11/h1-3,8,10-11H,4-7,9H2,(H,23,27)(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211859
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1 Show InChI InChI=1S/C18H18ClF3N4O/c19-12-6-3-7-13(8-12)25-17-24-10-14(15(26-17)18(20,21)22)16(27)23-9-11-4-1-2-5-11/h3,6-8,10-11H,1-2,4-5,9H2,(H,23,27)(H,24,25,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211853
(2-(2-fluoro-5-chlorophenylamino)-4-trifluoromethyl...)Show SMILES Fc1ccc(Cl)cc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-11-1-2-13(20)14(7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211860
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCC1 Show InChI InChI=1S/C17H16ClF3N4O/c18-11-5-2-6-12(7-11)24-16-23-9-13(14(25-16)17(19,20)21)15(26)22-8-10-3-1-4-10/h2,5-7,9-10H,1,3-4,8H2,(H,22,26)(H,23,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50211854
(2-(2-fluoro-3-chlorophenylamino)-4-trifluoromethyl...)Show SMILES Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-12-2-1-3-13(14(12)20)26-17-25-9-11(15(27-17)18(21,22)23)16(28)24-8-10-4-6-29-7-5-10/h1-3,9-10H,4-8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211845
(2-(3-chlorophenylamino)-4-trifluoromethylpyrimidin...)Show SMILES FC(F)(F)c1nc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCCC1 Show InChI InChI=1S/C19H20ClF3N4O/c20-13-7-4-8-14(9-13)26-18-25-11-15(16(27-18)19(21,22)23)17(28)24-10-12-5-2-1-3-6-12/h4,7-9,11-12H,1-3,5-6,10H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50211852
(2-(3,5-difluorophenylamino)-4-trifluoromethyl-pyri...)Show SMILES Fc1cc(F)cc(Nc2ncc(C(=O)NCC3CCOCC3)c(n2)C(F)(F)F)c1 Show InChI InChI=1S/C18H17F5N4O2/c19-11-5-12(20)7-13(6-11)26-17-25-9-14(15(27-17)18(21,22)23)16(28)24-8-10-1-3-29-4-2-10/h5-7,9-10H,1-4,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50211854
(2-(2-fluoro-3-chlorophenylamino)-4-trifluoromethyl...)Show SMILES Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-12-2-1-3-13(14(12)20)26-17-25-9-11(15(27-17)18(21,22)23)16(28)24-8-10-4-6-29-7-5-10/h1-3,9-10H,4-8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 9.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP1A2 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50211840
(2-(2-fluoro-4-chlorophenylamino)-4-trifluoromethyl...)Show SMILES Fc1cc(Cl)ccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211843
(2-(2,4-dichlorophenylamino)-4-trifluoromethyl-pyri...)Show SMILES FC(F)(F)c1nc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C18H17Cl2F3N4O2/c19-11-1-2-14(13(20)7-11)26-17-25-9-12(15(27-17)18(21,22)23)16(28)24-8-10-3-5-29-6-4-10/h1-2,7,9-10H,3-6,8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50211854
(2-(2-fluoro-3-chlorophenylamino)-4-trifluoromethyl...)Show SMILES Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-12-2-1-3-13(14(12)20)26-17-25-9-11(15(27-17)18(21,22)23)16(28)24-8-10-4-6-29-7-5-10/h1-3,9-10H,4-8H2,(H,24,28)(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP2D6 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50211854
(2-(2-fluoro-3-chlorophenylamino)-4-trifluoromethyl...)Show SMILES Fc1c(Cl)cccc1Nc1ncc(C(=O)NCC2CCOCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C18H17ClF4N4O2/c19-12-2-1-3-13(14(12)20)26-17-25-9-11(15(27-17)18(21,22)23)16(28)24-8-10-4-6-29-7-5-10/h1-3,9-10H,4-8H2,(H,24,28)(H,25,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of human CYP3A4 |
J Med Chem 50: 2597-600 (2007)
Article DOI: 10.1021/jm061195+ BindingDB Entry DOI: 10.7270/Q2W095M7 |
More data for this Ligand-Target Pair | |