Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50060320
Substrate
n/a
Meas. Tech.
ChEMBL_47650 (CHEMBL657362)
Ki
813.0±n/a nM
Citation
Martín-Martínez, M; Bartolomé-Nebreda, JM; Gómez-Monterrey, I; González-Muñiz, R; García-López, MT; Ballaz, S; Barber, A; Fortuño, A; Del Río, J; Herranz, R Synthesis and stereochemical structure-activity relationships of 1,3-dioxoperhydropyrido[1,2-c]pyrimidine derivatives: potent and selective cholecystokinin-A receptor antagonists. J Med Chem 40:3402-7 (1997) [PubMed] Article
More Info.:
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:
BDBM50060320
Synonyms:
CHEMBL326064 | [(R)-1-((4aR,5R)-2-Benzyl-1,3-dioxo-octahydro-pyrido[1,2-c]pyrimidin-5-ylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid tert-butyl ester
Type:
Small organic molecule
Emp. Form.:
C31H37N5O5
Mol. Mass.:
559.656
SMILES:
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCCN2[C@@H]1CC(=O)N(Cc1ccccc1)C2=O