Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50045803

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_49880

39±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:

Type:

G Protein-Coupled Receptor (GPCR)

Mol. Mass.:

48445.79

Organism:

Homo sapiens (Human)

Description:

Stable expression of human CCK-2 receptors in HEK 293 cells.

Residue:

447

Sequence:

MELLKLNRSVQGTGPGPGASLCRPGAPLLNSSSVGNLSCEPPRIRGAGTRELELAIRITL
YAVIFLMSVGGNMLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTF
IFGTVICKAVSYLMGVSVSVSTLSLVAIALERYSAICRPLQARVWQTRSHAARVIVATWL
LSGLLMVPYPVYTVVQPVGPRVLQCVHRWPSARVRQTWSVLLLLLLFFIPGVVMAVAYGL
ISRELYLGLRFDGDSDSDSQSRVRNQGGLPGAVHQNGRCRPETGAVGEDSDGCYVQLPRS
RPALELTALTAPGPGSGSRPTQAKLLAKKRVVRMLLVIVVLFFLCWLPVYSANTWRAFDG
PGAHRALSGAPISFIHLLSYASACVNPLVYCFMHRRFRQACLETCARCCPRPPRARPRAL
PDEDPPTPSIASLSRLSYTTISTLGPG

BDBM50045803

n/a

Name

BDBM50045803

Synonyms:

CHEMBL433407 | [1-[2-(4-Chloro-phenyl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester

Type

Small organic molecule

Emp. Form.

C31H36ClN3O3

Mol. Mass.

534.089

SMILES

CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccc(Cl)cc1 |wU:21.23,19.27,17.19,wD:23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(14.26,-12.21,;12.93,-13,;11.6,-13.77,;11.6,-15.31,;12.51,-16.55,;11.62,-17.81,;10.15,-17.34,;8.8,-18.11,;7.47,-17.34,;7.47,-15.8,;8.8,-15.03,;10.13,-15.8,;11.43,-12.58,;10.09,-11.81,;8.99,-12.9,;9.69,-10.32,;8.21,-9.92,;6.46,-9.94,;5.4,-10.97,;4.11,-10.32,;3.57,-8.92,;4.67,-7.87,;6.31,-7.71,;6.88,-9.13,;5.72,-10.23,;5.9,-8.64,;14.26,-13.75,;14.26,-15.29,;15.8,-13.75,;16.57,-12.42,;18.11,-12.42,;18.88,-11.08,;18.09,-9.76,;18.86,-8.43,;20.4,-8.41,;21.17,-7.08,;21.19,-9.76,;20.42,-11.09,)|

Structure