Ki Summary

Reaction Details

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Target

Gastrin/cholecystokinin type B receptor

Ligand

BDBM50061992

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_48268 (CHEMBL663173)

IC50

191±n/a nM

Citation

Trivedi, BK; Padia, JK; Holmes, A; Rose, S; Wright, DS; Hinton, JP; Pritchard, MC; Eden, JM; Kneen, C; Webdale, L; Suman-Chauhan, N; Boden, P; Singh, L; Field, MJ; Hill, D Second generation"peptoid" CCK-B receptor antagonists: identification and development of N-(adamantyloxycarbonyl)-alpha-methyl-(R)-tryptophan derivative (CI-1015) with an improved pharmacokinetic profile. J Med Chem41:38-45 (1998) [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

BDBM50061992

n/a

Name

BDBM50061992

Synonyms:

1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-cyclohexanecarboxylic acid methyl ester | CHEMBL344220

Type

Small organic molecule

Emp. Form.

C31H41N3O5

Mol. Mass.

535.6743

SMILES

COC(=O)C1(CCCCC1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:13.27,wD:13.14,TLB:35:30:38:34.36.33,35:34:29.30.31:38,THB:33:32:29:34.35.36,33:34:29:32.31.38,28:29:38:34.36.33,(7.67,-10.77,;7.65,-9.57,;6.15,-9.17,;5.05,-10.27,;5.75,-7.69,;5.75,-6.14,;7.09,-5.38,;8.44,-6.15,;8.42,-7.7,;7.09,-8.45,;4.41,-8.45,;3.16,-7.72,;3.15,-6.34,;1.88,-8.4,;1.86,-7.03,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-5.92,-9.56,;-5.92,-11.16,;-7.42,-11.58,;-6.23,-10.3,;-6.23,-8.81,;-4.89,-10.79,;-3.48,-10.44,;-4.52,-11.73,)|

Structure