Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50042886 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1444652 (CHEMBL3376650) | ||
EC50 | >20000±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 1 | |||
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: |
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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 |