Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50006889
Substrate
n/a
Meas. Tech.
ChEBML_49401
IC50
1700±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:
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:
BDBM50006889
Synonyms:
({2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl}-methyl)-methyl-phosphinic acid (1.5 hydrate) | CHEMBL87470
Type:
Small organic molecule
Emp. Form.:
C34H43N4O6P
Mol. Mass.:
634.7022
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(C)(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(11.35,-13.19,;11.36,-11.65,;11.37,-10.11,;10.48,-8.83,;8.94,-9.06,;8.27,-7.68,;9.36,-6.61,;9.29,-5.07,;10.58,-4.23,;11.95,-4.95,;12.02,-6.49,;10.72,-7.31,;10.02,-12.41,;8.69,-11.64,;8.69,-10.1,;7.35,-12.4,;6.02,-11.63,;6.02,-10.08,;4.7,-9.29,;3.36,-10.06,;1.38,-10.13,;2.73,-10.9,;4.21,-10.48,;3.13,-12.39,;4.67,-12.39,;3.34,-11.6,;12.69,-12.42,;12.69,-13.96,;14.02,-11.64,;15.36,-12.4,;16.68,-11.63,;16.67,-10.09,;18,-9.29,;17.97,-7.75,;19.33,-10.06,;20.66,-9.27,;21.59,-10.51,;21.87,-8.33,;19.72,-8.03,;18.02,-12.39,;18.02,-13.93,;19.37,-14.68,;20.7,-13.91,;20.68,-12.37,;19.34,-11.6,)|
Structure:
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