Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50285625
Substrate
n/a
Meas. Tech.
ChEBML_40060
Ki
392±n/a nM
Citation
 Horwell, D; Hunter, J; Kneen, C; Pritchard, M Synthesis of novel iodinated radioligands with high affinity and selectivity for CCK-B/gastrin receptors Bioorg Med Chem Lett 5:2501-2506 (1995)    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:
BDBM50285625
Synonyms:
(R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-4-(4-azido-3-iodo-phenyl)-butyric acid | (R)-3-[2-((R)-Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-4-(4-azido-3-iodo-phenyl)-butyric acid | CHEMBL312252 | PD-142251
Type:
Small organic molecule
Emp. Form.:
C33H37IN6O5
Mol. Mass.:
724.5885
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccc(N=[N+]=[N-])c(I)c1 |wU:1.0,wD:29.33,1.13,TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,15:16:20.21.23:25,(7.11,-5.46,;8.46,-6.2,;9.79,-5.42,;9.77,-3.88,;11.05,-4.76,;12.26,-3.83,;11.76,-2.38,;12.5,-1.04,;11.71,.28,;10.17,.25,;9.42,-1.09,;10.22,-2.4,;8.5,-7.74,;7.18,-8.54,;7.21,-10.08,;5.83,-7.8,;4.55,-8.64,;4.54,-10.17,;3.14,-10.52,;1.81,-10.03,;.62,-11.31,;2.12,-10.89,;3.52,-11.45,;2.11,-9.29,;3.15,-8.07,;1.81,-8.54,;9.57,-7.28,;11.1,-7.28,;9.6,-8.82,;10.95,-9.56,;10.98,-11.1,;9.67,-11.9,;9.7,-13.44,;8.31,-11.17,;12.27,-8.76,;13.62,-9.5,;13.64,-11.04,;14.99,-11.79,;16.31,-10.99,;17.66,-11.73,;18.98,-10.93,;20.3,-10.13,;16.28,-9.44,;17.59,-8.64,;14.93,-8.7,)|
Structure:
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