Found 5 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Orexin receptor type 2
(94/98 = 96%)† (Homo sapiens (Human)) | BDBM50434481
(CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134)Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.10 | n/a | n/a | 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 | 3D Structure (crystal) |
Orexin receptor type 2
(94/98 = 96%)† (Homo sapiens (Human)) | BDBM50434481
(CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134)Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Antagonist activity at OX2 receptor (unknown origin) |
Bioorg Med Chem Lett 23: 3389-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.079 BindingDB Entry DOI: 10.7270/Q279461B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Orexin receptor type 2
(94/98 = 96%)† (Homo sapiens (Human)) | BDBM50434481
(CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134)Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.10 | n/a | n/a | 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 | 3D Structure (crystal) |
Orexin receptor type 2
(94/98 = 96%)† (Homo sapiens (Human)) | BDBM50434481
(CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134)Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 1.10 | n/a | n/a | 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 | 3D Structure (crystal) |
Orexin receptor type 2
(94/98 = 96%)† (Homo sapiens (Human)) | BDBM50434481
(CHEMBL2385132 | CHEMBL2385133 | CHEMBL2385134)Show SMILES CCN(Cc1cccnc1)C(=O)CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C Show InChI InChI=1S/C23H26N4O4S/c1-4-26(16-19-9-7-13-24-14-19)23(28)17-27(20-11-12-22(31-3)25-15-20)32(29,30)21-10-6-5-8-18(21)2/h5-15H,4,16-17H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
Curated by ChEMBL
| Assay Description Antagonist activity at OX2 receptor (unknown origin) |
Bioorg Med Chem Lett 23: 3389-92 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.079 BindingDB Entry DOI: 10.7270/Q279461B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |