Reaction Details Report a problem with these data
Target
Orexin/Hypocretin receptor type 1
Ligand
BDBM79851
Substrate
n/a
Meas. Tech.
Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1)
IC50
404.88±n/a nM
Citation
 PubChem, PC Homogeneous Time Resolved Fluorescence (HTRF)-based cell-based high throughput dose response assay for antagonists of the orexin 1 receptor (OX1R; HCRTR1) PubChem Bioassay (2011)[AID] 
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:
BDBM79851
Synonyms:
2-Allylsulfanyl-4-(2-chloro-phenyl)-6-hydroxy-5-(thiophene-2-carbonyl)-6-trifluoromethyl-1,4,5,6-tetrahydro-pyridine-3-carbonitrile | 4-(2-chlorophenyl)-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-6-(prop-2-enylthio)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile | 4-(2-chlorophenyl)-2-hydroxy-6-prop-2-enylsulfanyl-3-(thiophene-2-carbonyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile | 4-(2-chlorophenyl)-2-oxidanyl-6-prop-2-enylsulfanyl-3-thiophen-2-ylcarbonyl-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile | 6-(allylthio)-4-(2-chlorophenyl)-2-hydroxy-3-(2-thenoyl)-2-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carbonitrile | MLS000563952 | SMR000176896 | cid_3130913
Type:
Small organic molecule
Emp. Form.:
C21H16ClF3N2O2S2
Mol. Mass.:
484.942
SMILES:
OC1(N=C(SCC=C)C(C#N)C(C1C(=O)c1cccs1)c1ccccc1Cl)C(F)(F)F |t:2|
Structure:
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