Found 10 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 2C8
(Homo sapiens (Human)) | BDBM50131697
(CHEMBL3633320)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)n1 Show InChI InChI=1S/C16H17F3N6O3/c17-16(18,19)13-3-1-12(2-4-13)9-22-5-7-23(8-6-22)14(26)10-24-11-20-15(21-24)25(27)28/h1-4,11H,5-10H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 in human Liver microsomes after 5 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50131697
(CHEMBL3633320)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)n1 Show InChI InChI=1S/C16H17F3N6O3/c17-16(18,19)13-3-1-12(2-4-13)9-22-5-7-23(8-6-22)14(26)10-24-11-20-15(21-24)25(27)28/h1-4,11H,5-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human Liver microsomes after 35 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50131699
(CHEMBL3633321)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 Show InChI InChI=1S/C15H16Cl2N6O3/c16-12-2-1-11(7-13(12)17)8-20-3-5-21(6-4-20)14(24)9-22-10-18-15(19-22)23(25)26/h1-2,7,10H,3-6,8-9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human Liver microsomes after 5 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50131699
(CHEMBL3633321)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 Show InChI InChI=1S/C15H16Cl2N6O3/c16-12-2-1-11(7-13(12)17)8-20-3-5-21(6-4-20)14(24)9-22-10-18-15(19-22)23(25)26/h1-2,7,10H,3-6,8-9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human Liver microsomes after 35 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50131697
(CHEMBL3633320)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)n1 Show InChI InChI=1S/C16H17F3N6O3/c17-16(18,19)13-3-1-12(2-4-13)9-22-5-7-23(8-6-22)14(26)10-24-11-20-15(21-24)25(27)28/h1-4,11H,5-10H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human Liver microsomes after 5 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50131697
(CHEMBL3633320)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)n1 Show InChI InChI=1S/C16H17F3N6O3/c17-16(18,19)13-3-1-12(2-4-13)9-22-5-7-23(8-6-22)14(26)10-24-11-20-15(21-24)25(27)28/h1-4,11H,5-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human Liver microsomes after 5 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50131699
(CHEMBL3633321)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 Show InChI InChI=1S/C15H16Cl2N6O3/c16-12-2-1-11(7-13(12)17)8-20-3-5-21(6-4-20)14(24)9-22-10-18-15(19-22)23(25)26/h1-2,7,10H,3-6,8-9H2 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human Liver microsomes after 5 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50131697
(CHEMBL3633320)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)n1 Show InChI InChI=1S/C16H17F3N6O3/c17-16(18,19)13-3-1-12(2-4-13)9-22-5-7-23(8-6-22)14(26)10-24-11-20-15(21-24)25(27)28/h1-4,11H,5-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human Liver microsomes after 5 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50131699
(CHEMBL3633321)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 Show InChI InChI=1S/C15H16Cl2N6O3/c16-12-2-1-11(7-13(12)17)8-20-3-5-21(6-4-20)14(24)9-22-10-18-15(19-22)23(25)26/h1-2,7,10H,3-6,8-9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human Liver microsomes after 5 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C8
(Homo sapiens (Human)) | BDBM50131699
(CHEMBL3633321)Show SMILES [O-][N+](=O)c1ncn(CC(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)n1 Show InChI InChI=1S/C15H16Cl2N6O3/c16-12-2-1-11(7-13(12)17)8-20-3-5-21(6-4-20)14(24)9-22-10-18-15(19-22)23(25)26/h1-2,7,10H,3-6,8-9H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
NorthShore University HealthSystem
Curated by ChEMBL
| Assay Description Inhibition of CYP2C8 in human Liver microsomes after 5 mins by LC-MS/MS method |
Eur J Med Chem 103: 325-34 (2015)
Article DOI: 10.1016/j.ejmech.2015.08.042 BindingDB Entry DOI: 10.7270/Q2639RKN |
More data for this Ligand-Target Pair | |