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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Kappa-type opioid receptor | ||
| Ligand | BDBM50271958 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_556764 (CHEMBL961462) | ||
| IC50 | 369±n/a nM | ||
| Citation |  Martínez-Mayorga, K; Medina-Franco, JL; Giulianotti, MA; Pinilla, C; Dooley, CT; Appel, JR; Houghten, RA Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis. Bioorg Med Chem16:5932-8 (2008) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Kappa-type opioid receptor | |||
| Name: | Kappa-type opioid receptor | ||
| Synonyms: | Kappa Opioid Receptor | OPIATE Kappa | OPRK1 | OPRK_CAVPO | Opiate Kappa 1 | mu/kappa opioid receptor | ||
| Type: | G Protein-Coupled Receptor (GPCR) | ||
| Mol. Mass.: | 42744.99 | ||
| Organism: | Cavia porcellus (domestic guinea pig) | ||
| Description: | P41144 | ||
| Residue: | 380 | ||
| Sequence: |
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| BDBM50271958 | |||
| n/a | |||
| Name | BDBM50271958 | ||
| Synonyms: | (3S,6R)-3-Cyclohexyl-6-(4-methoxy-benzyl)-7-(4-methyl-cyclohexylmethyl)-2,5,6,7-tetrahydro-3H-imidazo[1,2-a]imidazol-1-ium | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H42N3O | ||
| Mol. Mass. | 424.6413 | ||
| SMILES | COc1ccc(C[C@@H]2CN3[C@H](C[NH+]=C3N2CC2CCC(C)CC2)C2CCCCC2)cc1 |r,wU:7.6,wD:10.25,c:12,(39.97,1.29,;38.43,1.32,;37.63,.01,;38.36,-1.35,;37.56,-2.66,;36.02,-2.61,;35.22,-3.92,;33.68,-3.88,;32.81,-2.61,;31.33,-3.05,;29.87,-2.53,;28.93,-3.76,;29.8,-5.03,;31.29,-4.59,;32.74,-5.11,;33.18,-6.59,;32.12,-7.71,;30.63,-7.34,;29.57,-8.45,;30,-9.93,;28.94,-11.04,;31.5,-10.29,;32.57,-9.18,;29.43,-1.05,;30.49,.06,;30.06,1.53,;28.56,1.89,;27.5,.78,;27.93,-.71,;35.28,-1.27,;36.08,.04,)| | ||
| Structure | 
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