Found 6 hits for monomerid = 50136694 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 2
(Homo sapiens (Human)) | BDBM50136694
((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...)Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research& Development
Curated by ChEMBL
| Assay Description Binding affinity to orexin receptor 2 (unknown origin) |
Bioorg Med Chem Lett 23: 4761-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ |
More data for this Ligand-Target Pair | |
Orexin receptor type 1
(Homo sapiens (Human)) | BDBM50136694
((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...)Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Janssen Research& Development
Curated by ChEMBL
| Assay Description Binding affinity to orexin receptor 1 (unknown origin) |
Bioorg Med Chem Lett 23: 4761-9 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.057 BindingDB Entry DOI: 10.7270/Q25140NJ |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50136694
((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...)Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human OX2 receptor |
J Med Chem 52: 891-903 (2009)
Article DOI: 10.1021/jm801296d BindingDB Entry DOI: 10.7270/Q2TM7B3D |
More data for this Ligand-Target Pair | |
Orexin receptor type 2
(Homo sapiens (Human)) | BDBM50136694
((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...)Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R) |
Bioorg Med Chem Lett 13: 4497-9 (2003)
BindingDB Entry DOI: 10.7270/Q20R9NT7 |
More data for this Ligand-Target Pair | |
Orexin receptor type 1
(Homo sapiens (Human)) | BDBM50136694
((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...)Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE 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 |
Actelion Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description Antagonist activity at human OX1 receptor |
J Med Chem 52: 891-903 (2009)
Article DOI: 10.1021/jm801296d BindingDB Entry DOI: 10.7270/Q2TM7B3D |
More data for this Ligand-Target Pair | |
Orexin receptor type 1
(Homo sapiens (Human)) | BDBM50136694
((S)-1-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-...)Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)[C@@H](NCc1ccncc1)C(C)(C)C |r| Show InChI InChI=1S/C23H31N3O3/c1-23(2,3)21(25-14-16-6-9-24-10-7-16)22(27)26-11-8-17-12-19(28-4)20(29-5)13-18(17)15-26/h6-7,9-10,12-13,21,25H,8,11,14-15H2,1-5H3/t21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Tsukuba Research Institute
Curated by ChEMBL
| Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R) |
Bioorg Med Chem Lett 13: 4497-9 (2003)
BindingDB Entry DOI: 10.7270/Q20R9NT7 |
More data for this Ligand-Target Pair | |