Ki Summary

Reaction Details

Report a problem with these data

Target

Cannabinoid receptor 1

Ligand

BDBM50056322

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1449782 (CHEMBL3378769)

EC50

9550±n/a nM

Citation

Huang, G; Pemp, D; Stadtm�ller, P; Nimczick, M; Heilmann, J; Decker, M Design, synthesis and in vitro evaluation of novel uni- and bivalent ligands for the cannabinoid receptor type 1 with variation of spacer length and structure. Bioorg Med Chem Lett24:4209-14 (2014) [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

BDBM50056322

n/a

Name

BDBM50056322

Synonyms:

CHEMBL3322457

Type

Small organic molecule

Emp. Form.

C58H66Cl6N8O4

Mol. Mass.

1151.914

SMILES

Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCCCCNC(=O)[C@H]1CC[C@@H](CC1)C(=O)NCCCCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl |r,wU:38.44,wD:35.37,(27.43,-39.65,;26.41,-40.81,;24.88,-40.66,;24.26,-42.07,;25.42,-43.09,;26.74,-42.31,;28.15,-42.92,;28.32,-44.45,;29.73,-45.06,;30.97,-44.15,;32.39,-44.76,;30.79,-42.61,;29.38,-42,;25.27,-44.62,;26.52,-45.51,;26.38,-47.04,;24.98,-47.69,;24.83,-49.22,;23.72,-46.79,;23.87,-45.26,;22.62,-44.37,;24.1,-39.34,;22.56,-39.35,;24.85,-38,;24.07,-36.67,;24.83,-35.33,;24.04,-34,;24.8,-32.66,;24.02,-31.34,;24.78,-29.99,;23.99,-28.67,;24.75,-27.33,;23.97,-26,;24.73,-24.66,;26.27,-24.64,;23.94,-23.34,;24.69,-21.99,;23.91,-20.67,;22.37,-20.69,;21.61,-22.03,;22.4,-23.35,;21.59,-19.36,;22.34,-18.02,;20.05,-19.38,;19.29,-20.72,;17.75,-20.74,;17,-22.08,;15.46,-22.1,;14.7,-23.44,;13.16,-23.46,;12.41,-24.8,;10.87,-24.82,;10.11,-26.16,;8.57,-26.19,;7.81,-27.54,;7.78,-24.86,;6.23,-24.84,;5.76,-23.37,;7.02,-22.48,;8.27,-23.39,;9.74,-22.93,;7.04,-20.93,;8.39,-20.17,;8.4,-18.62,;7.08,-17.84,;7.09,-16.29,;5.73,-18.59,;5.71,-20.14,;4.41,-22.62,;4.39,-21.07,;3.05,-20.31,;1.72,-21.1,;.37,-20.35,;1.74,-22.65,;3.09,-23.4,;3.11,-24.95,)|

Structure