Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50005453
Substrate
n/a
Meas. Tech.
ChEMBL_47648 (CHEMBL657360)
Ki
200±n/a nM
Citation
 van der Bent, A; Blommaert, AG; Melman, CT; IJzerman, AP; van Wijngaarden, I; Soudijn, W Hybrid cholecystokinin-A antagonists based on molecular modeling of lorglumide and L-364,718. J Med Chem 35:1042-9 (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:
BDBM50005453
Synonyms:
1H-Indole-2-carboxylic acid [3,3-bis-(4-chloro-phenyl)-allyl]-amide | CHEMBL266596
Type:
Small organic molecule
Emp. Form.:
C24H18Cl2N2O
Mol. Mass.:
421.319
SMILES:
Clc1ccc(cc1)C(=CCNC(=O)c1cc2ccccc2[nH]1)c1ccc(Cl)cc1 |(-.18,1.75,;.59,.41,;2.13,.34,;2.83,-1.01,;1.99,-2.31,;.47,-2.24,;-.23,-.89,;2.71,-3.67,;4.25,-3.74,;5.07,-2.45,;6.61,-2.46,;7.37,-3.79,;6.59,-5.12,;8.91,-3.8,;9.82,-2.55,;11.28,-3.04,;12.61,-2.29,;13.94,-3.06,;13.93,-4.6,;12.58,-5.35,;11.3,-4.7,;9.8,-5.05,;1.87,-4.97,;.33,-4.88,;-.51,-6.19,;.21,-7.57,;-.58,-8.9,;1.76,-7.64,;2.59,-6.33,)|
Structure:
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