Reaction Details | |||
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Target | Cholecystokinin receptor type A | ||
Ligand | BDBM50070414 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_40040 | ||
Ki | 1060±n/a nM | ||
Citation | Bellier, B; Da Nascimento, S; Meudal, H; Gincel, E; Roques, BP; Garbay, C Novel constrained CCK-B dipeptoid antagonists derived from pipecolic acid. Bioorg Med Chem Lett8:1419-24 (1999) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Cholecystokinin receptor type A | |||
Name: | Cholecystokinin receptor type A | ||
Synonyms: | CCK-A receptor | CCK-AR | CCK1-R | CCKAR | CCKAR_CAVPO | Cholecystokinin A receptor | Cholecystokinin receptor type A | Cholecystokinin-1 receptor | ||
Type: | n/a | ||
Mol. Mass.: | 48229.77 | ||
Organism: | Cavia porcellus | ||
Description: | n/a | ||
Residue: | 430 | ||
Sequence: |
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BDBM50070414 | |||
n/a | |||
Name | BDBM50070414 | ||
Synonyms: | CHEMBL286247 | {[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-[2-(4-chloro-phenyl)-ethyl]-amino}-acetic acid | ||
Type | Small organic molecule | ||
Emp. Form. | C33H38ClN3O5 | ||
Mol. Mass. | 592.125 | ||
SMILES | C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:1.13,wD:1.0,TLB:15:16:19.18.25:21.23.22,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,15:16:18:21.22.20,(7.91,-7.33,;7.94,-8.88,;7.94,-10.43,;7.17,-11.75,;5.62,-11.9,;5.27,-13.39,;6.62,-14.19,;6.91,-15.68,;8.36,-16.2,;9.52,-15.17,;9.23,-13.68,;7.78,-13.17,;6.59,-8.13,;5.23,-8.91,;5.27,-10.46,;3.91,-8.17,;2.56,-8.97,;1.07,-8.54,;-.34,-9.1,;-1.38,-7.84,;-1.38,-6.3,;.01,-5.72,;1.07,-6.94,;1.37,-6.2,;1.37,-7.69,;.04,-8.17,;9.27,-8.07,;9.23,-6.52,;10.81,-8.07,;11.55,-6.74,;13.09,-6.72,;13.84,-5.38,;13.06,-4.07,;13.8,-2.75,;15.35,-2.72,;16.1,-1.4,;16.12,-4.04,;15.36,-5.38,;11.55,-9.42,;13.1,-9.39,;13.9,-10.72,;13.87,-8.04,)| | ||
Structure |