Reaction Details | |||
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Target | Cannabinoid receptor 1 | ||
Ligand | BDBM50198534 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_437693 (CHEMBL905968) | ||
Ki | >2500±n/a nM | ||
Citation | Smith, RA; Fathi, Z; Brown, SE; Choi, S; Fan, J; Jenkins, S; Kluender, HC; Konkar, A; Lavoie, R; Mays, R; Natoli, J; O'Connor, SJ; Ortiz, AA; Podlogar, B; Taing, C; Tomlinson, S; Tritto, T; Zhang, Z Constrained analogs of CB-1 antagonists: 1,5,6,7-Tetrahydro-4H-pyrrolo[3,2-c]pyridine-4-one derivatives. Bioorg Med Chem Lett17:673-8 (2007) [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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BDBM50198534 | |||
n/a | |||
Name | BDBM50198534 | ||
Synonyms: | 5-cyclohexyl-1-(2,4-dichlorophenyl)-3-methyl-2-(4-(methylthio)phenyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one | CHEMBL230677 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H28Cl2N2OS | ||
Mol. Mass. | 499.495 | ||
SMILES | CSc1ccc(cc1)-c1c(C)c2c(CCN(C3CCCCC3)C2=O)n1-c1ccc(Cl)cc1Cl |(-8.64,-20.29,;-7.85,-21.62,;-6.32,-21.6,;-5.55,-20.26,;-4.02,-20.25,;-3.24,-21.58,;-3.99,-22.92,;-5.53,-22.94,;-1.7,-21.57,;-.8,-20.3,;-1.29,-18.84,;.68,-20.77,;.68,-22.32,;2.02,-23.09,;3.36,-22.32,;3.36,-20.77,;4.69,-20.01,;6.03,-20.79,;7.36,-20.03,;7.37,-18.49,;6.04,-17.71,;4.69,-18.48,;2.02,-20,;2.02,-18.46,;-.79,-22.81,;-1.26,-24.27,;-2.76,-24.6,;-3.23,-26.06,;-2.19,-27.2,;-2.66,-28.67,;-.68,-26.87,;-.22,-25.4,;1.28,-25.07,)| | ||
Structure |