Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Kappa-type opioid receptor | ||
| Ligand | BDBM50271916 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_145851 (CHEMBL756114) | ||
| IC50 | 336±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: |
| ||
| BDBM50271916 | |||
| n/a | |||
| Name | BDBM50271916 | ||
| Synonyms: | (3S,6S)-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,wD:10.25,7.6,c:12,(.94,-35.88,;1.67,-37.25,;.87,-38.56,;1.6,-39.93,;.79,-41.23,;-.75,-41.18,;-1.56,-42.49,;-3.1,-42.46,;-3.97,-41.19,;-5.45,-41.62,;-6.91,-41.11,;-7.84,-42.33,;-6.98,-43.6,;-5.49,-43.17,;-4.04,-43.69,;-3.6,-45.16,;-2.1,-45.52,;-1.66,-46.99,;-.17,-47.35,;.89,-46.24,;2.39,-46.6,;.46,-44.76,;-1.04,-44.39,;-7.34,-39.63,;-6.28,-38.52,;-6.72,-37.05,;-8.21,-36.68,;-9.28,-37.8,;-8.84,-39.28,;-1.49,-39.83,;-.68,-38.52,)| | ||
| Structure | 
| ||