Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50006881
Substrate
n/a
Meas. Tech.
ChEBML_48250
IC50
6±n/a nM
Citation
 Drysdale, MJ; Pritchard, MC; Horwell, DC Rationally designed"dipeptoid" analogues of CCK. Acid mimics of the potent and selective non-peptide CCK-B receptor antagonist CI-988. J Med Chem 35:2573-81 (1992) [PubMed]  Article 
Target
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:
MDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50006881
Synonyms:
CHEMBL88090 | {2-(1H-Indol-3-yl)-1-methyl-1-[2-phenyl-2-(3-1H-tetrazol-5-yl-propionylamino)-ethylcarbamoyl]-ethyl}-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C35H42N8O4
Mol. Mass.:
638.7592
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCc1nnn[nH]1)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,23:24:18:21.22.20,23:21:18:16.24.25,(10.08,-15.84,;10.09,-14.29,;10.1,-12.76,;9.2,-11.48,;7.68,-11.72,;7,-10.34,;8.09,-9.26,;8.02,-7.73,;9.31,-6.89,;10.69,-7.61,;10.75,-9.14,;9.45,-9.96,;8.76,-15.06,;7.42,-14.29,;7.42,-12.75,;6.07,-15.04,;4.75,-14.27,;4.75,-12.73,;3.43,-11.95,;2.09,-12.72,;.13,-12.77,;1.46,-13.55,;2.95,-13.14,;1.87,-15.04,;3.4,-15.04,;2.08,-14.25,;11.41,-15.07,;11.41,-16.61,;12.75,-14.29,;14.08,-15.04,;15.4,-14.27,;15.39,-12.74,;16.72,-11.95,;16.71,-10.41,;18.06,-12.7,;19.39,-11.93,;20.74,-12.69,;22.28,-12.65,;22.8,-14.11,;21.58,-15.04,;20.29,-14.17,;16.73,-15.04,;16.75,-16.57,;18.09,-17.34,;19.42,-16.56,;19.4,-15.01,;18.07,-14.26,)|
Structure:
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