Found 6 hits for monomerid = 50401154 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076 BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | 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 | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076 BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this Ligand-Target Pair | |
Cytochrome P450 26A1
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA as substrate after 1 hr by scintillation counter analysis |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076 BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076 BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | 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 | 8.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076 BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50401154
(CHEMBL2205775)Show SMILES COC(=O)C(C)(C)C(c1ccc(Nc2ccccc2)cc1)n1cncn1 Show InChI InChI=1S/C20H22N4O2/c1-20(2,19(25)26-3)18(24-14-21-13-22-24)15-9-11-17(12-10-15)23-16-7-5-4-6-8-16/h4-14,18,23H,1-3H3 | 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 | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 in human liver microsomes |
Bioorg Med Chem 20: 4201-7 (2012)
Article DOI: 10.1016/j.bmc.2012.05.076 BindingDB Entry DOI: 10.7270/Q2CZ3895 |
More data for this Ligand-Target Pair | |