Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50452998

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_48263 (CHEMBL663168)

IC50

0.800000±n/a nM

Citation

Horwell, DC; Hughes, J; Hunter, JC; Pritchard, MC; Richardson, RS; Roberts, E; Woodruff, GN Rationally designed"dipeptoid" analogues of CCK. alpha-Methyltryptophan derivatives as highly selective and orally active gastrin and CCK-B antagonists with potent anxiolytic properties. J Med Chem34:404-14 (1991) [PubMed]

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

BDBM50452998

n/a

Name

BDBM50452998

Synonyms:

CHEMBL2112693

Type

Small organic molecule

Emp. Form.

C34H42N4O7

Mol. Mass.

618.7199

SMILES

O.[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@@]2([H])C[C@]3([H])C[C@@]([H])(C[C@@]1([H])C3)C2)(NC(=O)CC(O)=O)c1ccccc1 |wU:7.6,24.25,30.31,2.0,wD:2.40,33.35,27.28,TLB:22:23:26:30.36.29,THB:32:33:26:30.36.29,32:30:23.33.35:26,29:30:23:27.35.26,29:27:23:30.36.32,(21.23,-10.12,;15.18,-14.74,;15.19,-16.28,;13.87,-17.07,;12.52,-16.31,;12.51,-14.77,;13.84,-13.99,;11.18,-14,;11.27,-15.53,;11.17,-12.48,;12.26,-11.4,;11.34,-10.15,;12.26,-8.9,;13.71,-9.38,;15.05,-8.61,;16.37,-9.38,;16.37,-10.92,;15.05,-11.69,;13.71,-10.92,;9.85,-14.8,;8.5,-14.03,;8.48,-12.49,;7.17,-14.82,;5.63,-14.8,;4.65,-13.65,;5.37,-12.3,;3.24,-13.45,;2.57,-14.77,;1.55,-13.61,;.91,-15.37,;2.45,-15.67,;1.67,-17,;3.44,-16.82,;4.92,-16.15,;5.98,-17.27,;3.51,-15.83,;3.16,-14.26,;16.52,-15.5,;18.06,-15.5,;18.04,-13.96,;19.38,-14.73,;20.73,-15.48,;22.05,-14.69,;20.74,-17.02,;16.53,-17.05,;17.85,-16.27,;19.19,-17.02,;19.2,-18.56,;17.88,-19.35,;16.53,-18.59,)|

Structure