Ki Summary

Reaction Details

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Target

Cannabinoid receptor 1

Ligand

BDBM50298939

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_588141 (CHEMBL1049258)

100±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

BDBM50298939

n/a

Name

BDBM50298939

Synonyms:

CHEMBL577361 | N-(4-Chlorobenzyl)1-(3,4-dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methyl-1H-pyrazole-3-carboxamide

Type

Small organic molecule

Emp. Form.

C24H21Cl3N4O

Mol. Mass.

487.809

SMILES

Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(Cl)cc1 |(29.87,-5.25,;30.78,-4.01,;32.32,-4,;32.79,-2.54,;31.55,-1.64,;31.54,-.09,;30.3,-2.54,;28.84,-2.07,;28.36,-.6,;29.26,.64,;26.82,-.6,;26.34,-2.07,;27.59,-2.97,;27.59,-4.51,;26.26,-5.28,;26.25,-6.82,;27.59,-7.59,;27.59,-9.13,;28.92,-6.82,;30.26,-7.59,;28.92,-5.28,;25.91,.65,;26.54,2.06,;24.38,.49,;23.48,1.73,;21.94,1.57,;21.32,.17,;19.79,0,;18.88,1.25,;17.35,1.09,;19.51,2.66,;21.04,2.82,)|

Structure