Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM50292933
Substrate
n/a
Meas. Tech.
ChEMBL_1558154 (CHEMBL3771998)
IC50
37±n/a nM
Citation
 Roecker, AJ; Cox, CD; Coleman, PJ Orexin Receptor Antagonists: New Therapeutic Agents for the Treatment of Insomnia. J Med Chem 59:504-30 (2016) [PubMed]  Article 
Target
Name:
Orexin/Hypocretin receptor type 1
Synonyms:
HCRTR1 | Hypocretin receptor type 1 | OX1R_HUMAN | Orexin receptor type 1 | Orexin receptor type 1 (OR 1) | Orexin receptor type 1 (OR-1) | Orexin receptor type 1 (OX1) | Orexin receptor type 1 (OX1R) | Orexin receptor type 1 (OxR1) | Ox1r
Type:
Protein
Mol. Mass.:
47554.50
Organism:
Homo sapiens (Human)
Description:
O43613
Residue:
425
Sequence:
MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP
  
Inhibitor
Name:
BDBM50292933
Synonyms:
CHEMBL490082 | N-cyclopropyl-2-(6,7-dimethoxy-1-(naphthalen-2-ylmethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenylacetamide
Type:
Small organic molecule
Emp. Form.:
C33H34N2O3
Mol. Mass.:
506.6347
SMILES:
COc1cc2CCN(C(C(=O)NC3CC3)c3ccccc3)C(Cc3ccc4ccccc4c3)c2cc1OC
Structure:
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