Found 8 hits for monomerid = 50074053 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 |
Orexin receptor type 1
(Homo sapiens (Human)) | BDBM50074053
(CHEMBL3409876)Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 264 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 25: 1884-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50074053
(CHEMBL3409876)Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank 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 |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assay |
Bioorg Med Chem Lett 25: 1884-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50074053
(CHEMBL3409876)Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using testosterone as marker substrate |
Bioorg Med Chem Lett 25: 1884-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50074053
(CHEMBL3409876)Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 25: 1884-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50074053
(CHEMBL3409876)Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human OX2R |
Bioorg Med Chem Lett 25: 1884-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50074053
(CHEMBL3409876)Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 25: 1884-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50074053
(CHEMBL3409876)Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/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 | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 25: 1884-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V |
More data for this Ligand-Target Pair | |
Orexin receptor type 1
(Homo sapiens (Human)) | BDBM50074053
(CHEMBL3409876)Show SMILES COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc2oc3ccccc3c2c1 |r| Show InChI InChI=1S/C24H20FNO4/c1-29-22-8-4-6-17(25)23(22)18-12-19(27)24(28)26(18)13-14-9-10-21-16(11-14)15-5-2-3-7-20(15)30-21/h2-11,18-19,27H,12-13H2,1H3/t18-,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 737 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description Binding affinity to human OX1R |
Bioorg Med Chem Lett 25: 1884-91 (2015)
Article DOI: 10.1016/j.bmcl.2015.03.035 BindingDB Entry DOI: 10.7270/Q2F76F7V |
More data for this Ligand-Target Pair | |