Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50154430

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_312857 (CHEMBL874936)

IC50

2110±n/a nM

Citation

Muñoz-Ruiz, P; García-López, MT; Cenarruzabeitia, E; Del Río, J; Dufresne, M; Foucaud, M; Fourmy, D; Herranz, R 5-(tryptophylamino)-1,3-dioxoperhydropyrido[1,2-c]pyrimidine-based cholecystokinin receptor antagonists: reversal of CCK1 receptor subtype selectivity toward CCK2 receptors. J Med Chem47:5318-29 (2004) [PubMed] Article

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

BDBM50154430

n/a

Name

BDBM50154430

Synonyms:

(S)-2-[(4R,5R)-2-(4-Dimethylamino-phenyl)-4-methyl-1,3-dioxo-octahydro-pyrido[1,2-c]pyrimidin-5-ylamino]-3-(1H-indol-3-yl)-propionic acid adamantan-2-yl ester | CHEMBL365620

Type

Small organic molecule

Emp. Form.

C38H47N5O4

Mol. Mass.

637.8109

SMILES

C[C@@H]1C2[C@@H](CCCN2C(=O)N(C1=O)c1ccc(cc1)N(C)C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC1C2CC3CC(C2)CC1C3 |wD:3.24,23.25,1.0,TLB:39:40:37.38.43:44,36:37:40.39.46:42.43.44,36:37:44:40.46.41,THB:41:40:37:42.43.44,41:42:37:40.39.46,39:38:44:40.46.41,(2.92,-.49,;2.92,1.03,;1.58,1.8,;.21,1.03,;-1.14,1.8,;-1.14,3.37,;.21,4.15,;1.58,3.37,;2.92,4.15,;2.92,5.71,;4.27,3.37,;4.27,1.8,;5.64,1,;5.64,4.15,;5.64,5.72,;6.99,6.51,;8.36,5.71,;8.35,4.15,;6.99,3.35,;9.68,6.48,;10.98,5.71,;9.68,7.95,;.21,-.55,;-1.13,-1.32,;-2.48,-.53,;-3.74,-1.19,;-4.22,-2.53,;-5.64,-2.5,;-6.04,-1.13,;-7.34,-.53,;-7.43,.89,;-6.25,1.69,;-4.98,1.07,;-4.86,-.33,;-1.13,-2.88,;.21,-3.66,;-2.48,-3.66,;-2.48,-5.21,;-2.49,-6.72,;-3.48,-7.97,;-4.85,-7.4,;-6.32,-7.83,;-5.15,-6.58,;-3.86,-7.06,;-5.16,-5.14,;-3.83,-4.66,;-4.86,-5.87,)|

Structure