PubMed code 22429469
Found 2 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)) | BDBM50380809
(CHEMBL2018331)Show SMILES COc1nc(ccc1-n1cnc(C)c1)C(=O)N[C@H]1COc2ccc(Cl)c(F)c12 |r| Show InChI InChI=1S/C19H16ClFN4O3/c1-10-7-25(9-22-10)14-5-4-12(24-19(14)27-2)18(26)23-13-8-28-15-6-3-11(20)17(21)16(13)15/h3-7,9,13H,8H2,1-2H3,(H,23,26)/t13-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 22: 2906-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.059 BindingDB Entry DOI: 10.7270/Q2XD12P9 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50380809
(CHEMBL2018331)Show SMILES COc1nc(ccc1-n1cnc(C)c1)C(=O)N[C@H]1COc2ccc(Cl)c(F)c12 |r| Show InChI InChI=1S/C19H16ClFN4O3/c1-10-7-25(9-22-10)14-5-4-12(24-19(14)27-2)18(26)23-13-8-28-15-6-3-11(20)17(21)16(13)15/h3-7,9,13H,8H2,1-2H3,(H,23,26)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 22: 2906-11 (2012)
Article DOI: 10.1016/j.bmcl.2012.02.059 BindingDB Entry DOI: 10.7270/Q2XD12P9 |
More data for this Ligand-Target Pair | |
* indicates data uncertainty>20%