Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50007443

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_48263 (CHEMBL663168)

IC50

4.6±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

BDBM50007443

n/a

Name

BDBM50007443

Synonyms:

4-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propylcarbamoyl}-butyric acid | CHEMBL341281

Type

Small organic molecule

Emp. Form.

C37H46N4O6

Mol. Mass.

642.7843

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)CCCC(O)=O)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(11.41,-8.37,;11.31,-6.86,;11.29,-5.31,;12.38,-4.24,;11.48,-3,;12.38,-1.75,;13.86,-2.23,;15.18,-1.45,;16.53,-2.22,;16.53,-3.77,;15.18,-4.54,;13.86,-3.77,;9.97,-7.65,;8.62,-6.89,;8.62,-5.35,;7.31,-7.66,;5.75,-7.65,;5.06,-9.01,;3.57,-9.67,;2.57,-8.53,;1.04,-8.21,;2.68,-7.63,;3.35,-6.3,;4.77,-6.49,;3.29,-7.11,;3.64,-8.68,;12.64,-7.62,;13.98,-6.82,;12.66,-9.16,;14.01,-9.91,;14.02,-11.45,;12.7,-12.25,;12.71,-13.79,;14.05,-14.54,;11.38,-14.57,;10.04,-13.82,;8.71,-14.6,;7.36,-13.83,;6.02,-14.62,;7.34,-12.29,;15.34,-9.14,;16.68,-9.9,;16.68,-11.42,;18.03,-12.19,;19.36,-11.42,;19.33,-9.87,;18,-9.11,)|

Structure