Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50062014
Substrate
n/a
Meas. Tech.
ChEMBL_50191 (CHEMBL663484)
IC50
6899±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 Chem 41:38-45 (1998) [PubMed]  Article 
Target
Name:
Cholecystokinin receptor type A
Synonyms:
CCKAR_RAT | Cckar | Cholecystokinin peripheral | Cholecystokinin receptor | Cholecystokinin receptor type A
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49676.37
Organism:
RAT
Description:
Cholecystokinin central 0 RAT::P30551
Residue:
444
Sequence:
MSHSPARQHLVESSRMDVVDSLLMNGSNITPPCELGLENETLFCLDQPQPSKEWQSALQILLYSIIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICRPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPSDAMQQSWQTFLLLILFLLPGIVMVVAYGLISLELYQGIKFDASQKKSAKEKKPSTGSSTRYEDSDGCYLQKSRPPRKLELQQLSSGSGGSRLNRIRSSSSAANLIAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAEKHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGVRGEVGEEEDGRTIRALLSRYSYSHMSTSAPPP
  
Inhibitor
Name:
BDBM50062014
Synonyms:
CHEMBL342907 | [(R)-2-(1H-Indol-3-yl)-1-((S)-2-methoxymethyl-pyrrolidin-1-ylcarbamoyl)-1-methyl-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C29H40N4O4
Mol. Mass.:
508.6523
SMILES:
COC[C@@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:11.25,3.2,wD:11.12,TLB:36:35:33:30.29.31,THB:36:30:27.35.34:33,31:32:27:30.29.36,31:30:27:32.34.33,26:27:33:30.29.31,(8.73,-11.26,;8.31,-9.76,;6.82,-9.39,;6.39,-7.89,;7.35,-6.69,;6.5,-5.4,;5.01,-5.81,;4.94,-7.37,;3.66,-8.22,;2.42,-7.49,;2.39,-6.11,;1.13,-8.17,;1.12,-6.79,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.78,;4.38,-13.93,;5.88,-13.62,;6.36,-12.15,;5.33,-11,;3.84,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.97,;-2.92,-7.82,;-4.21,-8.66,;-4.23,-10.21,;-5.63,-10.55,;-6.95,-10.06,;-8.16,-11.33,;-6.64,-10.91,;-5.24,-11.49,;-6.66,-9.32,;-5.61,-8.08,;-6.96,-8.57,)|
Structure:
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