Reaction Details  Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50470638
Substrate
n/a
Meas. Tech.
ChEMBL_49874 (CHEMBL857786)
Ki
2570±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:
BDBM50470638
Synonyms:
CHEMBL342465
Type:
Small organic molecule
Emp. Form.:
C45H43N3O7
Mol. Mass.:
737.8388
SMILES:
OC(=O)c1cc(NC(=O)[C@H](NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC23CC4CC(CC(C4)C2)C3)c2ccccc2)cc(c1)C(O)=O |wU:9.49,TLB:11:13:23.28:16.21,36:37:41:35.34.40,40:35:42:39.41.38,40:39:42:35.34.36,27:28:13.14:16.21,29:14:23.28:16.21,17:16:13.14:23.28,THB:36:35:41:37.42.38,20:21:13.14:23.28,(10.87,-6.62,;11.58,-5.07,;13.12,-5.07,;10.83,-3.75,;9.48,-2.97,;9.5,-1.43,;8.16,-.66,;6.62,-.66,;6.23,.84,;5.54,-1.75,;4.04,-1.36,;2.56,-.97,;3.01,.57,;-2.05,-1.75,;-1.03,-.74,;-1.05,-2.59,;.91,-3.2,;2.72,-3.2,;4,-4.46,;3.33,-5.71,;1.36,-5.71,;.2,-4.39,;-2.02,-3.9,;-3.92,-4.46,;-5.44,-5.06,;-6.98,-4.55,;-6.66,-3.52,;-5.02,-2.87,;-3.32,-3.16,;-.41,.41,;-1.34,1.31,;.72,1.06,;.71,2.37,;1.84,3.05,;3.03,2.74,;4.16,3.16,;5.17,2.08,;3.88,2.44,;3.9,3.79,;3.01,4.82,;4.17,4.44,;1.82,4.34,;2.71,1.95,;5.94,-3.25,;7.42,-3.64,;7.83,-5.12,;6.73,-6.23,;5.23,-5.83,;4.84,-4.33,;10.83,-.66,;12.16,-1.43,;12.16,-2.97,;13.5,-.66,;14.83,-1.43,;13.48,.89,)|
Structure:
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