Found 28 hits of Enzyme Inhibition Constant Data 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 2D6
(Homo sapiens (Human)) | BDBM50254701
(6-(3-bromophenylamino)-4-cyclopropyl-N-((tetrahydr...)Show SMILES Brc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H24BrN3O2/c22-16-2-1-3-17(10-16)25-20-11-18(15-4-5-15)19(13-23-20)21(26)24-12-14-6-8-27-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,23,25)(H,24,26) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254702
(4-cyclopropyl-N-((tetrahydro-2H-pyran-4-yl)methyl)...)Show SMILES FC(F)(F)Oc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)31-17-3-1-2-16(10-17)28-20-11-18(15-4-5-15)19(13-26-20)21(29)27-12-14-6-8-30-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,26,28)(H,27,29) | 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 | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254700
(4-tert-butyl-6-(2,4-dichlorophenylamino)-N-((tetra...)Show SMILES CC(C)(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C22H27Cl2N3O2/c1-22(2,3)17-11-20(27-19-5-4-15(23)10-18(19)24)25-13-16(17)21(28)26-12-14-6-8-29-9-7-14/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,25,27)(H,26,28) | 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 | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254700
(4-tert-butyl-6-(2,4-dichlorophenylamino)-N-((tetra...)Show SMILES CC(C)(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C22H27Cl2N3O2/c1-22(2,3)17-11-20(27-19-5-4-15(23)10-18(19)24)25-13-16(17)21(28)26-12-14-6-8-29-9-7-14/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,25,27)(H,26,28) | 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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin). |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254701
(6-(3-bromophenylamino)-4-cyclopropyl-N-((tetrahydr...)Show SMILES Brc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H24BrN3O2/c22-16-2-1-3-17(10-16)25-20-11-18(15-4-5-15)19(13-23-20)21(26)24-12-14-6-8-27-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,23,25)(H,24,26) | 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 | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin). |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254702
(4-cyclopropyl-N-((tetrahydro-2H-pyran-4-yl)methyl)...)Show SMILES FC(F)(F)Oc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)31-17-3-1-2-16(10-17)28-20-11-18(15-4-5-15)19(13-26-20)21(29)27-12-14-6-8-30-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,26,28)(H,27,29) | PDB
UniProtKB/SwissProt
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 PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254701
(6-(3-bromophenylamino)-4-cyclopropyl-N-((tetrahydr...)Show SMILES Brc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H24BrN3O2/c22-16-2-1-3-17(10-16)25-20-11-18(15-4-5-15)19(13-23-20)21(26)24-12-14-6-8-27-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,23,25)(H,24,26) | 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 | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254738
(4-cyclopropyl-6-(2,5-dichlorophenylamino)-N-((tetr...)Show SMILES Clc1ccc(Cl)c(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-15-3-4-18(23)19(9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27) | 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 | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254700
(4-tert-butyl-6-(2,4-dichlorophenylamino)-N-((tetra...)Show SMILES CC(C)(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C22H27Cl2N3O2/c1-22(2,3)17-11-20(27-19-5-4-15(23)10-18(19)24)25-13-16(17)21(28)26-12-14-6-8-29-9-7-14/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,25,27)(H,26,28) | 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 | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254444
(6-(2,4-dichlorophenylamino)-4-isopropyl-N-((tetrah...)Show SMILES CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C21H25Cl2N3O2/c1-13(2)16-10-20(26-19-4-3-15(22)9-18(19)23)24-12-17(16)21(27)25-11-14-5-7-28-8-6-14/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,24,26)(H,25,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254701
(6-(3-bromophenylamino)-4-cyclopropyl-N-((tetrahydr...)Show SMILES Brc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H24BrN3O2/c22-16-2-1-3-17(10-16)25-20-11-18(15-4-5-15)19(13-23-20)21(26)24-12-14-6-8-27-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,23,25)(H,24,26) | 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 | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254444
(6-(2,4-dichlorophenylamino)-4-isopropyl-N-((tetrah...)Show SMILES CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C21H25Cl2N3O2/c1-13(2)16-10-20(26-19-4-3-15(22)9-18(19)23)24-12-17(16)21(27)25-11-14-5-7-28-8-6-14/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,24,26)(H,25,27) | 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 | 4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254738
(4-cyclopropyl-6-(2,5-dichlorophenylamino)-N-((tetr...)Show SMILES Clc1ccc(Cl)c(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-15-3-4-18(23)19(9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50254661
(4-cyclopropyl-6-(2,4-dichlorophenylamino)-N-((tetr...)Show SMILES Clc1ccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-15-3-4-19(18(23)9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27) | 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 | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254444
(6-(2,4-dichlorophenylamino)-4-isopropyl-N-((tetrah...)Show SMILES CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C21H25Cl2N3O2/c1-13(2)16-10-20(26-19-4-3-15(22)9-18(19)23)24-12-17(16)21(27)25-11-14-5-7-28-8-6-14/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,24,26)(H,25,27) | 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 | 4.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254738
(4-cyclopropyl-6-(2,5-dichlorophenylamino)-N-((tetr...)Show SMILES Clc1ccc(Cl)c(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-15-3-4-18(23)19(9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27) | 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 | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254738
(4-cyclopropyl-6-(2,5-dichlorophenylamino)-N-((tetr...)Show SMILES Clc1ccc(Cl)c(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-15-3-4-18(23)19(9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27) | 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 | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin). |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254661
(4-cyclopropyl-6-(2,4-dichlorophenylamino)-N-((tetr...)Show SMILES Clc1ccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-15-3-4-19(18(23)9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254702
(4-cyclopropyl-N-((tetrahydro-2H-pyran-4-yl)methyl)...)Show SMILES FC(F)(F)Oc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)31-17-3-1-2-16(10-17)28-20-11-18(15-4-5-15)19(13-26-20)21(29)27-12-14-6-8-30-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,26,28)(H,27,29) | 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 | 5.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254444
(6-(2,4-dichlorophenylamino)-4-isopropyl-N-((tetrah...)Show SMILES CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C21H25Cl2N3O2/c1-13(2)16-10-20(26-19-4-3-15(22)9-18(19)23)24-12-17(16)21(27)25-11-14-5-7-28-8-6-14/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,24,26)(H,25,27) | 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 | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50254444
(6-(2,4-dichlorophenylamino)-4-isopropyl-N-((tetrah...)Show SMILES CC(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C21H25Cl2N3O2/c1-13(2)16-10-20(26-19-4-3-15(22)9-18(19)23)24-12-17(16)21(27)25-11-14-5-7-28-8-6-14/h3-4,9-10,12-14H,5-8,11H2,1-2H3,(H,24,26)(H,25,27) | 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 | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin). |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254700
(4-tert-butyl-6-(2,4-dichlorophenylamino)-N-((tetra...)Show SMILES CC(C)(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C22H27Cl2N3O2/c1-22(2,3)17-11-20(27-19-5-4-15(23)10-18(19)24)25-13-16(17)21(28)26-12-14-6-8-29-9-7-14/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,25,27)(H,26,28) | 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 | 6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254702
(4-cyclopropyl-N-((tetrahydro-2H-pyran-4-yl)methyl)...)Show SMILES FC(F)(F)Oc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C22H24F3N3O3/c23-22(24,25)31-17-3-1-2-16(10-17)28-20-11-18(15-4-5-15)19(13-26-20)21(29)27-12-14-6-8-30-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,26,28)(H,27,29) | 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 PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50254661
(4-cyclopropyl-6-(2,4-dichlorophenylamino)-N-((tetr...)Show SMILES Clc1ccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-15-3-4-19(18(23)9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27) | 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 PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254701
(6-(3-bromophenylamino)-4-cyclopropyl-N-((tetrahydr...)Show SMILES Brc1cccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H24BrN3O2/c22-16-2-1-3-17(10-16)25-20-11-18(15-4-5-15)19(13-23-20)21(26)24-12-14-6-8-27-9-7-14/h1-3,10-11,13-15H,4-9,12H2,(H,23,25)(H,24,26) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254661
(4-cyclopropyl-6-(2,4-dichlorophenylamino)-N-((tetr...)Show SMILES Clc1ccc(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c(Cl)c1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-15-3-4-19(18(23)9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27) | 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 PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50254700
(4-tert-butyl-6-(2,4-dichlorophenylamino)-N-((tetra...)Show SMILES CC(C)(C)c1cc(Nc2ccc(Cl)cc2Cl)ncc1C(=O)NCC1CCOCC1 Show InChI InChI=1S/C22H27Cl2N3O2/c1-22(2,3)17-11-20(27-19-5-4-15(23)10-18(19)24)25-13-16(17)21(28)26-12-14-6-8-29-9-7-14/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,25,27)(H,26,28) | 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 PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50254738
(4-cyclopropyl-6-(2,5-dichlorophenylamino)-N-((tetr...)Show SMILES Clc1ccc(Cl)c(Nc2cc(C3CC3)c(cn2)C(=O)NCC2CCOCC2)c1 Show InChI InChI=1S/C21H23Cl2N3O2/c22-15-3-4-18(23)19(9-15)26-20-10-16(14-1-2-14)17(12-24-20)21(27)25-11-13-5-7-28-8-6-13/h3-4,9-10,12-14H,1-2,5-8,11H2,(H,24,26)(H,25,27) | 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 PLC
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 19: 259-63 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.118 BindingDB Entry DOI: 10.7270/Q2R78F25 |
More data for this Ligand-Target Pair | |