Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50470613
Substrate
n/a
Meas. Tech.
ChEMBL_49874 (CHEMBL857786)
Ki
4074±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:
CCKAR_CAVPO | CCKAR | Cholecystokinin A receptor | CCK-AR | CCK-A receptor | Cholecystokinin-1 receptor | CCK1-R | Cholecystokinin receptor type A
Type:
n/a
Mol. Mass.:
48229.77
Organism:
Guinea pig
Description:
n/a
Residue:
430
Sequence:
MDVVDSLFVNGSNITSACELGFENETLFCLDRPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPSLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTGNMCRFLLPNDVMQQTWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFDAIQKKSAKERKTSTGSSGPMEDSDGCYLQKSRHPRKLELRQLSPSSSGSNRINRIRSSSSTANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTVSAERHLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGTPGVRGEMGEEEEGRTTGASLSRYSYSHMSTSAPPP
  
Inhibitor
Name:
BDBM50470613
Synonyms:
CHEMBL343515
Type:
Small organic molecule
Emp. Form.:
C42H41N3O7
Mol. Mass.:
699.8
SMILES:
OC(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)C2C(C3c4ccccc4C2c2ccccc32)C(=O)NCC2CCCCC2)cc(c1)C(O)=O |wD:9.9,TLB:24:23:20.21:35.30,34:35:20.21:28.23,THB:31:30:20.21:28.23,18:20:28.23:35.30,36:21:28.23:35.30,(18.05,-9.9,;16.72,-9.13,;16.7,-7.58,;15.38,-9.92,;14.05,-9.15,;12.73,-9.92,;11.38,-9.15,;9.84,-9.15,;9.45,-7.65,;8.76,-10.25,;9.16,-11.74,;10.48,-12.51,;11.8,-11.74,;13.12,-12.51,;13.12,-14.06,;11.8,-14.82,;10.47,-14.05,;7.26,-9.84,;5.78,-9.45,;6.23,-7.9,;1.17,-10.25,;2.19,-9.23,;2.17,-11.08,;-.1,-11.64,;-1.79,-11.35,;-3.44,-12.02,;-3.76,-13.05,;-2.22,-13.54,;-.7,-12.95,;1.2,-12.38,;3.43,-12.89,;4.59,-14.19,;6.55,-14.19,;7.22,-12.95,;5.94,-11.67,;4.13,-11.67,;2.81,-8.09,;1.88,-7.16,;3.94,-7.42,;3.93,-6.1,;5.06,-5.44,;6.19,-6.1,;7.31,-5.44,;7.31,-4.13,;6.16,-3.49,;5.04,-4.13,;12.71,-11.45,;14.05,-12.22,;15.38,-11.45,;14.8,-13.56,;14.09,-15.11,;16.35,-13.56,)|
Structure:
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