Ki Summary

Reaction Details

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Target

Cannabinoid receptor 2

Ligand

BDBM50042886

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1444651 (CHEMBL3376649)

EC50

41±n/a nM

Citation

Bartolozzi, A; Cirillo, PF; Berry, AK; Hickey, ER; Thomson, DS; Wu, L; Zindell, R; Albrecht, C; Ceci, A; Gemkow, MJ; Nagaraja, NV; Romig, H; Sauer, A; Riether, D Selective CB2 receptor agonists. Part 3: the optimization of a piperidine-based series that demonstrated efficacy in an in vivo neuropathic pain model. Bioorg Med Chem Lett25:587-92 (2015) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cannabinoid receptor 2

Name:

Cannabinoid receptor 2

Synonyms:

CANNABINOID CB2 | CB-2 | CB2 | CB2A | CB2B | CNR2 | CNR2_HUMAN | CX5 | Cannabinoid CB2 receptor | Cannabinoid receptor 2 (CB2) | Cannabinoid receptor 2 (CB2R) | hCB2

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

39690.94

Organism:

Homo sapiens (Human)

Description:

P34972

Residue:

360

Sequence:

MEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILS
SHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTAS
VGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCS
ELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLD
VRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYA
LRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC

BDBM50042886

n/a

Name

BDBM50042886

Synonyms:

CHEMBL3354542

Type

Small organic molecule

Emp. Form.

C20H31N3O4

Mol. Mass.

377.4778

SMILES

CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](O)CC2)no1 |r,wU:10.9,18.18,wD:21.22,(49.92,-45,;49.15,-43.66,;49.92,-42.33,;50.67,-43.82,;47.61,-43.66,;46.71,-42.41,;45.25,-42.89,;43.91,-42.11,;42.58,-42.88,;42.58,-44.42,;41.24,-42.11,;41.24,-40.57,;39.92,-39.79,;38.59,-40.57,;38.59,-42.11,;39.92,-42.87,;39.91,-44.41,;41.25,-45.18,;38.58,-45.18,;38.59,-46.71,;37.26,-47.49,;35.92,-46.71,;34.59,-47.49,;35.92,-45.17,;37.25,-44.4,;45.24,-44.43,;46.7,-44.91,)|

Structure