Ki Summary

Reaction Details

Report a problem with these data

Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50470629

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_321078 (CHEMBL872158)

1.6±n/a nM

Citation

Low, CM; Buck, IM; Cooke, T; Cushnir, JR; Kalindjian, SB; Kotecha, A; Pether, MJ; Shankley, NP; Vinter, JG; Wright, L Scaffold hopping with molecular field points: identification of a cholecystokinin-2 (CCK2) receptor pharmacophore and its use in the design of a prototypical series of pyrrole- and imidazole-based CCK2 antagonists. J Med Chem48:6790-802 (2005) [PubMed] Article

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 receptor | GASR_MOUSE | Gastrin/cholecystokinin type B receptor

Type:

Enzyme Catalytic Domain

Mol. Mass.:

49196.59

Organism:

MOUSE

Description:

Cholecystokinin A CCKBR MOUSE::P56481

Residue:

453

Sequence:

MDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITL
YAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTF
IFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWL
LSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGL
ISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCY
VQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANT
WRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPR
ARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG

BDBM50470629

n/a

Name

BDBM50470629

Synonyms:

CHEMBL342616

Type

Small organic molecule

Emp. Form.

C46H45N3O7

Mol. Mass.

751.8654

SMILES

OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wD:9.9,TLB:43:44:48:42.41.47,47:46:49:42.41.43,47:42:49:46.48.45,24:23:20.21:35.30,THB:18:20:35.30:28.23,43:42:48:44.49.45,34:35:20.21:28.23,27:28:20.21:35.30,31:30:20.21:28.23,(16.62,-7.02,;16.63,-5.48,;15.29,-4.71,;17.97,-4.72,;17.97,-3.18,;19.29,-2.43,;19.31,-.88,;20.64,-.12,;21.97,-.9,;20.64,1.42,;19.31,2.19,;17.98,2.97,;16.63,2.21,;15.31,2.97,;15.33,4.52,;16.65,5.3,;17.99,4.5,;21.97,2.19,;21.97,3.73,;20.64,4.51,;23.44,4.41,;24.65,3.71,;25.05,5.21,;27.84,6.65,;29.36,6.44,;30.3,7.66,;29.71,9.1,;28.18,9.3,;27.25,8.09,;23.52,5.95,;22.2,7.73,;21.67,9.18,;22.67,10.37,;24.18,10.1,;24.71,8.66,;23.73,7.47,;24.66,2.18,;25.98,2.96,;25.99,1.41,;27.32,2.18,;28.66,1.41,;30.24,1.7,;31.62,.9,;31.41,-.6,;29.78,-.84,;30.79,.2,;31.02,1.59,;32.73,1.99,;29.75,2.35,;28.46,-.09,;20.63,-3.19,;20.63,-4.73,;19.3,-5.51,;21.96,-5.51,;21.97,-7.04,;23.29,-4.74,)|

Structure