Found 7 hits for monomerid = 50268381 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 3A4
(Homo sapiens (Human)) | BDBM50268381
(4-oxo-N-((trans)-2-phenylcyclopropyl)-6-(pyridin-4...)Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r| Show InChI InChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 19: 3398-404 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50268381
(4-oxo-N-((trans)-2-phenylcyclopropyl)-6-(pyridin-4...)Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r| Show InChI InChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 19: 3398-404 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50268381
(4-oxo-N-((trans)-2-phenylcyclopropyl)-6-(pyridin-4...)Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r| Show InChI InChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
Bioorg Med Chem Lett 19: 3398-404 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7 |
More data for this Ligand-Target Pair | |
Epoxide hydrolase 2
(Rattus norvegicus) | BDBM50268381
(4-oxo-N-((trans)-2-phenylcyclopropyl)-6-(pyridin-4...)Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r| Show InChI InChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of rat soluble epoxide hydrolase |
Bioorg Med Chem Lett 19: 3398-404 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50268381
(4-oxo-N-((trans)-2-phenylcyclopropyl)-6-(pyridin-4...)Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r| Show InChI InChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of Voltage-gated sodium channel subunit alpha Nav1.5 |
Bioorg Med Chem Lett 19: 3398-404 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7 |
More data for this Ligand-Target Pair | |
EBifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50268381
(4-oxo-N-((trans)-2-phenylcyclopropyl)-6-(pyridin-4...)Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r| Show InChI InChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human soluble epoxide hydrolase |
Bioorg Med Chem Lett 19: 3398-404 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7 |
More data for this Ligand-Target Pair | |
Epoxide hydrolase 1
(Homo sapiens (Human)) | BDBM50268381
(4-oxo-N-((trans)-2-phenylcyclopropyl)-6-(pyridin-4...)Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CC1)CC(=O)c1cc(ccc1O2)-c1ccncc1 |r| Show InChI InChI=1S/C28H27N3O3/c32-25-18-28(34-26-7-6-21(16-23(25)26)19-8-12-29-13-9-19)10-14-31(15-11-28)27(33)30-24-17-22(24)20-4-2-1-3-5-20/h1-9,12-13,16,22,24H,10-11,14-15,17-18H2,(H,30,33)/t22-,24+/m1/s1 | KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human microsomal epoxide hydrolase |
Bioorg Med Chem Lett 19: 3398-404 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.036 BindingDB Entry DOI: 10.7270/Q20C4VP7 |
More data for this Ligand-Target Pair | |