Reaction Details | |||
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Target | Kappa-type opioid receptor | ||
Ligand | BDBM50271958 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_145851 (CHEMBL756114) | ||
IC50 | 369±n/a nM | ||
Citation | Houghten, RA; Pinilla, C; Appel, JR; Blondelle, SE; Dooley, CT; Eichler, J; Nefzi, A; Ostresh, JM Mixture-based synthetic combinatorial libraries. J Med Chem42:3743-78 (1999) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Kappa-type opioid receptor | |||
Name: | Kappa-type opioid receptor | ||
Synonyms: | K-OR-1 | KOR-1 | Kappa-opioid receptor (KOR) | Kappa-type opioid receptor (KOPR) | Kappa-type opioid receptor (KOR) | Kappa-type opioid receptor (Kappa) | OPIATE Kappa | OPRK | OPRK1 | OPRK_HUMAN | kappa opioid receptor (KOR) | ||
Type: | G Protein-Coupled Receptor (GPCR) | ||
Mol. Mass.: | 42648.76 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P41145 | ||
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 |