Reaction Details  Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50470636
Substrate
n/a
Meas. Tech.
ChEMBL_49874 (CHEMBL857786)
Ki
1445±n/a nM
Citation
 Kalindjian, SB; Buck, IM; Cushnir, JR; Dunstone, DJ; Hudson, ML; Low, CM; McDonald, IM; Pether, MJ; Steel, KI; Tozer, MJ Improving the affinity and selectivity of a nonpeptide series of cholecystokinin-B/gastrin receptor antagonists based on the dibenzobicyclo[2.2.2]octane skeleton. J Med Chem 38:4294-302 (1995) [PubMed]  Article
Target
Name:
Cholecystokinin receptor type A
Synonyms:
CCK-A receptor | CCK-AR | CCK1-R | CCKAR | CCKAR_CAVPO | Cholecystokinin A receptor | Cholecystokinin receptor type A | Cholecystokinin-1 receptor
Type:
n/a
Mol. Mass.:
48229.77
Organism:
Cavia porcellus
Description:
n/a
Residue:
430
Sequence:
MDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRSSSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSYSHMSTSAPPP
  
Inhibitor
Name:
BDBM50470636
Synonyms:
CHEMBL343367
Type:
Small organic molecule
Emp. Form.:
C46H44FN3O7
Mol. Mass.:
769.8559
SMILES:
OC(=O)c1cc(NC(=O)[C@@H](Cc2ccccc2F)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(c1)C(O)=O |wU:9.9,TLB:35:36:21.22:29.24,48:43:50:47.49.46,48:47:50:43.42.44,25:24:21.22:36.31,THB:19:21:29.24:36.31,46:45:42:47.49.48,46:47:42:45.50.44,37:22:29.24:36.31,32:31:21.22:29.24,(10.91,-6.64,;11.62,-5.09,;13.17,-5.09,;10.87,-3.76,;9.52,-2.99,;9.54,-1.43,;8.19,-.66,;6.64,-.66,;6.25,.84,;5.56,-1.76,;5.96,-3.27,;7.05,-4.34,;6.64,-5.83,;7.71,-6.92,;9.2,-6.53,;9.61,-5.02,;8.52,-3.96,;8.39,-2.37,;4.05,-1.37,;2.57,-.97,;3.02,.57,;-2.06,-1.76,;-1.03,-.74,;-1.06,-2.6,;-3.33,-3.17,;-5.03,-2.88,;-6.68,-3.54,;-7.01,-4.57,;-5.47,-5.08,;-3.93,-4.47,;-2.03,-3.91,;.2,-4.41,;1.37,-5.74,;3.34,-5.74,;4.01,-4.47,;2.73,-3.21,;.92,-3.21,;-.41,.41,;-1.35,1.32,;.72,1.07,;.71,2.38,;1.84,3.06,;2.72,1.96,;3.89,2.45,;3.91,3.81,;3.02,4.84,;4.18,4.45,;4.17,3.17,;5.19,2.09,;3.04,2.75,;1.82,4.36,;10.87,-.66,;12.2,-1.43,;12.2,-2.99,;13.55,-.66,;14.89,-1.43,;13.53,.89,)|
Structure:
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