Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50045814

Substrate/Competitor

n/a

Meas. Tech.

ChEBML_49880

182±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

BDBM50045814

n/a

Name

BDBM50045814

Synonyms:

CHEMBL95793 | [2-(1H-Indol-3-yl)-1-methyl-1-(3-phenyl-propylcarbamoyl)-ethyl]-carbamic acid adamantan-2-yl ester

Type

Small organic molecule

Emp. Form.

C32H39N3O3

Mol. Mass.

513.6704

SMILES

CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCCc1ccccc1 |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,(10.65,-12.14,;9.32,-12.93,;7.99,-13.7,;8,-15.24,;8.91,-16.48,;8.01,-17.74,;6.54,-17.27,;5.19,-18.04,;3.86,-17.27,;3.86,-15.73,;5.19,-14.96,;6.53,-15.73,;7.82,-12.51,;6.49,-11.74,;5.39,-12.83,;6.09,-10.25,;4.6,-9.85,;2.85,-9.87,;1.78,-10.9,;.51,-10.25,;-.04,-8.85,;1.07,-7.8,;2.71,-7.65,;3.27,-9.06,;2.12,-10.16,;2.29,-8.57,;10.65,-13.68,;10.65,-15.22,;12.19,-13.68,;12.96,-12.35,;14.5,-12.35,;15.27,-11.01,;16.81,-11.01,;17.55,-9.68,;19.09,-9.67,;19.86,-11.01,;19.11,-12.35,;17.57,-12.35,)|

Structure