Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50005826
Substrate
n/a
Meas. Tech.
ChEBML_50060
IC50
801±n/a nM
Citation
 Fincham, CI; Higginbottom, M; Hill, DR; Horwell, DC; O'Toole, JC; Ratcliffe, GS; Rees, DC; Roberts, E Amide bond replacements incorporated into CCK-B selective"dipeptoids". J Med Chem 35:1472-84 (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:
BDBM50005826
Synonyms:
CHEMBL286843 | [2-(1H-Indol-3-yl)-1-methyl-1-(2-phenethyl-4,5-dihydro-thiazol-5-yl)-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C33H39N3O2S
Mol. Mass.:
541.747
SMILES:
CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C1SC(CCc2ccccc2)C=N1 |wU:19.27,wD:21.23,17.19,23.26,c:43,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:19:16:21.25.22,(.45,-8.95,;.06,-7.45,;-1.19,-6.55,;-1.03,-5.01,;-2.18,-4.02,;-1.57,-2.61,;-.03,-2.73,;1.09,-1.71,;2.56,-2.16,;2.88,-3.7,;1.74,-4.72,;.29,-4.24,;-.73,-8.79,;-2.26,-8.76,;-3.01,-7.41,;-3.04,-10.07,;-4.58,-10.04,;-5.96,-9.46,;-7.31,-9.95,;-7.31,-11.42,;-8.49,-12.7,;-7.01,-12.28,;-5.61,-12.83,;-4.58,-11.58,;-5.99,-11.9,;-7.02,-10.68,;1.54,-7.86,;2.72,-6.87,;4.01,-7.7,;5.54,-7.61,;6.41,-8.89,;7.77,-8.15,;7.82,-6.64,;9.18,-5.91,;10.49,-6.74,;10.42,-8.28,;9.07,-8.98,;3.62,-9.21,;2.08,-9.27,)|
Structure:
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