Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Gastrin/cholecystokinin type B receptor | ||
Ligand | BDBM50045796 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_48611 (CHEMBL659592) | ||
Ki | 21±n/a nM | ||
Citation | Blommaert, AG; Weng, JH; Dorville, A; McCort, I; Ducos, B; Durieux, C; Roques, BP Cholecystokinin peptidomimetics as selective CCK-B antagonists: design, synthesis, and in vitro and in vivo biochemical properties. J Med Chem36:2868-77 (1993) [PubMed] | ||
More Info.: | Get all data from this article, Assay Method | ||
Gastrin/cholecystokinin type B receptor | |||
Name: | Gastrin/cholecystokinin type B receptor | ||
Synonyms: | Cckbr | Cholecystokinin A | Cholecystokinin B receptor | Cholecystokinin receptor | GASR_RAT | Gastrin/cholecystokinin type B receptor | ||
Type: | Enzyme Catalytic Domain | ||
Mol. Mass.: | 48980.43 | ||
Organism: | RAT | ||
Description: | Cholecystokinin A CCKBR RAT::P30553 | ||
Residue: | 452 | ||
Sequence: |
| ||
BDBM50045796 | |||
n/a | |||
Name | BDBM50045796 | ||
Synonyms: | CHEMBL99939 | {[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 | CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccc(Cl)cc1)CC(O)=O |wU:23.24,wD:21.23,19.27,17.29,TLB:15:16:18:21.25.20,THB:24:19:16.23.22:25,22:23:18:21.25.20,22:21:16.23.24:18,(1.85,-13.1,;.54,-13.87,;-.79,-14.65,;-.79,-16.19,;.12,-17.43,;-.77,-18.69,;-2.24,-18.22,;-3.59,-18.99,;-4.92,-18.22,;-4.92,-16.68,;-3.59,-15.9,;-2.26,-16.67,;-.97,-13.47,;-2.3,-12.7,;-3.4,-13.77,;-2.7,-11.21,;-4.18,-10.81,;-5.51,-10.01,;-6.08,-8.59,;-7.72,-8.75,;-8.82,-9.8,;-8.28,-11.21,;-6.99,-11.85,;-5.93,-10.81,;-6.49,-9.52,;-6.67,-11.11,;1.87,-14.64,;1.85,-16.18,;3.41,-14.64,;4.18,-13.3,;5.72,-13.3,;6.49,-11.95,;8.03,-11.97,;8.8,-10.64,;8.01,-9.29,;8.77,-7.96,;6.47,-9.31,;5.7,-10.64,;4.18,-15.97,;5.72,-15.97,;6.49,-17.3,;6.49,-14.63,)| | ||
Structure |