Ki Summary

Reaction Details

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Target

Cannabinoid receptor 1

Ligand

BDBM50298940

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_588141 (CHEMBL1049258)

>2820±n/a nM

Citation

Silvestri, R; Ligresti, A; La Regina, G; Piscitelli, F; Gatti, V; Brizzi, A; Pasquini, S; Lavecchia, A; Allarà, M; Fantini, N; Carai, MA; Novellino, E; Colombo, G; Di Marzo, V; Corelli, F Synthesis, cannabinoid receptor affinity, molecular modeling studies and in vivo pharmacological evaluation of new substituted 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides. 2. Effect of the 3-carboxamide substituent on the affinity and selectivity profile. Bioorg Med Chem17:5549-64 (2009) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cannabinoid receptor 1

Name:

Cannabinoid receptor 1

Synonyms:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

52868.96

Organism:

Homo sapiens (Human)

Description:

P21554

Residue:

472

Sequence:

MKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQE
KMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIA
VLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVF
HRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLM
WTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWK
AHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLL
AIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQ
PLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL

BDBM50298940

n/a

Name

BDBM50298940

Synonyms:

CHEMBL573086 | N-(4-Chlorophenyl)1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide

Type

Small organic molecule

Emp. Form.

C23H19Cl3N4O

Mol. Mass.

473.782

SMILES

Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 |(14.86,-7.25,;15.77,-6,;17.3,-6.01,;17.78,-4.54,;16.53,-3.64,;16.53,-2.1,;15.29,-4.54,;13.82,-4.06,;13.36,-2.6,;14.26,-1.35,;11.81,-2.6,;11.34,-4.06,;12.58,-4.97,;12.58,-6.51,;11.25,-7.28,;11.24,-8.82,;12.58,-9.59,;12.57,-11.12,;13.91,-8.81,;15.24,-9.59,;13.92,-7.28,;10.91,-1.35,;11.54,.06,;9.37,-1.51,;8.47,-.27,;6.94,-.42,;6.04,.82,;6.66,2.22,;5.76,3.47,;8.2,2.39,;9.1,1.14,)|

Structure