Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50082645
Substrate
n/a
Meas. Tech.
ChEMBL_50043 (CHEMBL662412)
IC50
>1000±n/a nM
Citation
 Bartolomé-Nebreda, JM; Gómez-Monterrey, I; García-López, MT; González-Muñiz, R; Martín-Martínez, M; Ballaz, S; Cenarruzabeitia, E; LaTorre, M; Del Río, J; Herranz, R 5-(Tryptophyl)amino-1,3-dioxoperhydropyrido[1,2-c]pyrimidine-based potent and selective CCK(1) receptor antagonists: structural modifications at the tryptophan domain. J Med Chem 42:4659-68 (1999) [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:
BDBM50082645
Synonyms:
CHEMBL140098 | [(1S,2S)-2-((4aR,5R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2-c]pyrimidin-5-ylamino)-2-cyano-1-(1H-indol-3-ylmethyl)-ethyl]-carbamic acid benzyl ester
Type:
Small organic molecule
Emp. Form.:
C35H36N6O4
Mol. Mass.:
604.6981
SMILES:
O=C(N[C@@H](Cc1c[nH]c2ccccc12)[C@H](N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O)C#N)OCc1ccccc1
Structure:
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