Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50470623

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_48425 (CHEMBL660353)

2.3±n/a nM

Citation

Kalindjian, SB; Buck, IM; Cushnir, JR; Dunstone, DJ; Hudson, ML; Low, CM; McDonald, IM; Pether, MJ; Steel, KI; Tozer, MJ Improving the affinity and selectivity of a nonpeptide series of cholecystokinin-B/gastrin receptor antagonists based on the dibenzobicyclo[2.2.2]octane skeleton. J Med Chem38:4294-302 (1995) [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

BDBM50470623

n/a

Name

BDBM50470623

Synonyms:

CHEMBL140179

Type

Small organic molecule

Emp. Form.

C44H43N3O7S

Mol. Mass.

757.893

SMILES

OC(=O)c1cc(NC(=O)[C@@H](Cc2ccsc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wU:9.9,TLB:33:34:19.20:27.22,23:22:19.20:34.29,46:41:48:45.47.44,46:45:48:41.40.42,THB:30:29:19.20:27.22,17:19:27.22:34.29,35:20:27.22:34.29,44:43:40:45.47.46,44:45:40:43.48.42,(14.85,-1.43,;13.52,-.66,;13.5,.89,;12.18,-1.43,;10.84,-.66,;9.52,-1.43,;8.17,-.66,;6.63,-.66,;6.24,.84,;5.55,-1.75,;5.95,-3.26,;7.27,-4.03,;7.43,-5.56,;8.94,-5.88,;9.71,-4.55,;8.68,-3.4,;4.04,-1.37,;2.56,-.97,;3.01,.57,;-2.05,-1.75,;-1.03,-.74,;-1.05,-2.59,;-3.32,-3.16,;-5.02,-2.87,;-6.67,-3.53,;-6.99,-4.56,;-5.45,-5.07,;-3.93,-4.46,;-2.02,-3.9,;.2,-4.4,;1.37,-5.72,;3.33,-5.72,;4,-4.46,;2.72,-3.21,;.91,-3.21,;-.41,.41,;-1.34,1.31,;.72,1.06,;.71,2.38,;1.84,3.05,;2.71,1.96,;3.88,2.44,;3.9,3.8,;3.01,4.83,;4.17,4.44,;4.16,3.16,;5.17,2.09,;3.03,2.74,;1.82,4.35,;9.5,-2.98,;10.84,-3.75,;12.18,-2.98,;11.6,-5.08,;10.89,-6.63,;13.14,-5.08,)|

Structure