Found 8 hits for monomerid = 50268321 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 |
EBifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50268321
(6-(methylsulfonyl)-N-((trans)-2-phenylcyclopropyl)...)Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C24H28N2O4S/c1-31(28,29)19-7-8-22-18(15-19)9-10-24(30-22)11-13-26(14-12-24)23(27)25-21-16-20(21)17-5-3-2-4-6-17/h2-8,15,20-21H,9-14,16H2,1H3,(H,25,27)/t20-,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | 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 2
(Rattus norvegicus) | BDBM50268321
(6-(methylsulfonyl)-N-((trans)-2-phenylcyclopropyl)...)Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C24H28N2O4S/c1-31(28,29)19-7-8-22-18(15-19)9-10-24(30-22)11-13-26(14-12-24)23(27)25-21-16-20(21)17-5-3-2-4-6-17/h2-8,15,20-21H,9-14,16H2,1H3,(H,25,27)/t20-,21+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | 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 | |
Epoxide hydrolase 1
(Homo sapiens (Human)) | BDBM50268321
(6-(methylsulfonyl)-N-((trans)-2-phenylcyclopropyl)...)Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C24H28N2O4S/c1-31(28,29)19-7-8-22-18(15-19)9-10-24(30-22)11-13-26(14-12-24)23(27)25-21-16-20(21)17-5-3-2-4-6-17/h2-8,15,20-21H,9-14,16H2,1H3,(H,25,27)/t20-,21+/m1/s1 | KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40E+4 | 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 | |
EBifunctional epoxide hydrolase 2
(Homo sapiens (Human)) | BDBM50268321
(6-(methylsulfonyl)-N-((trans)-2-phenylcyclopropyl)...)Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C24H28N2O4S/c1-31(28,29)19-7-8-22-18(15-19)9-10-24(30-22)11-13-26(14-12-24)23(27)25-21-16-20(21)17-5-3-2-4-6-17/h2-8,15,20-21H,9-14,16H2,1H3,(H,25,27)/t20-,21+/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 | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50268321
(6-(methylsulfonyl)-N-((trans)-2-phenylcyclopropyl)...)Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C24H28N2O4S/c1-31(28,29)19-7-8-22-18(15-19)9-10-24(30-22)11-13-26(14-12-24)23(27)25-21-16-20(21)17-5-3-2-4-6-17/h2-8,15,20-21H,9-14,16H2,1H3,(H,25,27)/t20-,21+/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 3A4
(Homo sapiens (Human)) | BDBM50268321
(6-(methylsulfonyl)-N-((trans)-2-phenylcyclopropyl)...)Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C24H28N2O4S/c1-31(28,29)19-7-8-22-18(15-19)9-10-24(30-22)11-13-26(14-12-24)23(27)25-21-16-20(21)17-5-3-2-4-6-17/h2-8,15,20-21H,9-14,16H2,1H3,(H,25,27)/t20-,21+/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 | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50268321
(6-(methylsulfonyl)-N-((trans)-2-phenylcyclopropyl)...)Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C24H28N2O4S/c1-31(28,29)19-7-8-22-18(15-19)9-10-24(30-22)11-13-26(14-12-24)23(27)25-21-16-20(21)17-5-3-2-4-6-17/h2-8,15,20-21H,9-14,16H2,1H3,(H,25,27)/t20-,21+/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 | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50268321
(6-(methylsulfonyl)-N-((trans)-2-phenylcyclopropyl)...)Show SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)N[C@H]3C[C@@H]3c3ccccc3)CCc2c1 |r| Show InChI InChI=1S/C24H28N2O4S/c1-31(28,29)19-7-8-22-18(15-19)9-10-24(30-22)11-13-26(14-12-24)23(27)25-21-16-20(21)17-5-3-2-4-6-17/h2-8,15,20-21H,9-14,16H2,1H3,(H,25,27)/t20-,21+/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 | |