Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50045804

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_49880

115±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

BDBM50045804

n/a

Name

BDBM50045804

Synonyms:

CHEMBL329088 | {2-(1H-Indol-3-yl)-1-[2-(4-methoxy-phenyl)-ethylcarbamoyl]-1-methyl-ethyl}-carbamic acid adamantan-2-yl ester

Type

Small organic molecule

Emp. Form.

C32H39N3O4

Mol. Mass.

529.6698

SMILES

COc1ccc(CCNC(=O)C(C)(Cc2c[nH]c3ccccc23)NC(=O)OC2[C@H]3C[C@@H]4C[C@@H](C[C@H]2C4)C3)cc1 |wU:32.34,30.38,28.30,wD:34.37,TLB:26:27:29:32.36.31,THB:33:34:29:32.36.31,33:32:27.34.35:29,(21.77,-7.66,;20.21,-7.66,;19.46,-9.01,;20.24,-10.34,;19.47,-11.67,;17.93,-11.67,;17.16,-13,;15.62,-13,;14.85,-14.33,;13.31,-14.33,;13.31,-15.87,;11.98,-13.58,;13.31,-12.79,;10.65,-14.35,;10.66,-15.9,;11.57,-17.13,;10.67,-18.39,;9.2,-17.93,;7.85,-18.7,;6.52,-17.93,;6.52,-16.38,;7.85,-15.61,;9.19,-16.38,;10.48,-13.17,;9.15,-12.4,;8.05,-13.49,;8.75,-10.9,;7.26,-10.51,;5.51,-10.52,;4.44,-11.56,;3.17,-10.9,;2.62,-9.5,;3.73,-8.45,;5.37,-8.29,;5.93,-9.71,;4.78,-10.81,;4.95,-9.22,;17.15,-10.34,;17.9,-9.01,)|

Structure