Reaction Details Report a problem with these data
Target
Cannabinoid receptor 1
Ligand
BDBM50011336
Substrate
n/a
Meas. Tech.
ChEMBL_1352142 (CHEMBL3267751)
Ki
77±n/a nM
Citation
 Ellsworth, BA; Sher, PM; Wu, X; Wu, G; Sulsky, RB; Gu, Z; Murugesan, N; Zhu, Y; Yu, G; Sitkoff, DF; Carlson, KE; Kang, L; Yang, Y; Lee, N; Baska, RA; Keim, WJ; Cullen, MJ; Azzara, AV; Zuvich, E; Thomas, MA; Rohrbach, KW; Devenny, JJ; Godonis, HE; Harvey, SJ; Murphy, BJ; Everlof, GG; Stetsko, PI; Gudmundsson, O; Johnghar, S; Ranasinghe, A; Behnia, K; Pelleymounter, MA; Ewing, WR Reductions in log P improved protein binding and clearance predictions enabling the prospective design of cannabinoid receptor (CB1) antagonists with desired pharmacokinetic properties. J Med Chem 56:9586-600 (2014) [PubMed]  Article 
Target
Name:
Cannabinoid receptor 1
Synonyms:
CANN6 | CANNABINOID CB1 | CB-R | CB1 | CNR | CNR1 | CNR1_HUMAN | Cannabinoid CB1 receptor | Cannabinoid receptor | Cannabinoid receptor 1 (CB1) | Cannabinoid receptor 1 (brain)
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
52868.96
Organism:
Homo sapiens (Human)
Description:
P21554
Residue:
472
Sequence:
MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
  
Inhibitor
Name:
BDBM50011336
Synonyms:
CHEMBL3260756
Type:
Small organic molecule
Emp. Form.:
C27H23ClN8O2
Mol. Mass.:
526.977
SMILES:
CCn1nc2c(-c3ccc(Cl)cc3)c(-c3cnc(nc3)N(C)C)c(=O)n(Cc3ccc(cc3)C#N)n2c1=O
Structure:
Search PDB for entries with ligand similarity: