Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50007446

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_48263 (CHEMBL663168)

IC50

4.2±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

BDBM50007446

n/a

Name

BDBM50007446

Synonyms:

CHEMBL335914 | N-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propyl}-succinamic acid

Type

Small organic molecule

Emp. Form.

C36H44N4O6

Mol. Mass.

628.7578

SMILES

C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,29.33,1.0,wD:1.13,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(5.95,-4.92,;5.95,-3.38,;5.95,-1.84,;7.06,-.78,;6.14,.47,;7.06,1.72,;8.51,1.24,;9.85,2.01,;11.18,1.24,;11.18,-.3,;9.85,-1.07,;8.51,-.3,;4.65,-4.18,;3.3,-3.41,;3.28,-1.87,;1.97,-4.18,;.43,-4.18,;-.28,-5.53,;-1.76,-6.2,;-2.76,-5.05,;-4.29,-4.73,;-2.63,-4.15,;-1.96,-2.83,;-.55,-3.03,;-2.04,-3.64,;-1.69,-5.21,;7.29,-4.15,;7.29,-5.69,;8.63,-3.38,;9.96,-4.15,;9.96,-5.69,;8.63,-6.46,;9.14,-7.9,;10.65,-8.19,;8.15,-9.06,;6.64,-8.8,;5.63,-9.96,;6.14,-11.4,;4.11,-9.67,;11.29,-3.35,;12.62,-4.12,;13.96,-3.35,;15.28,-4.12,;15.3,-5.66,;13.96,-6.43,;12.62,-5.66,)|

Structure