Reaction Details  Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50470628
Substrate
n/a
Meas. Tech.
ChEMBL_49874 (CHEMBL857786)
Ki
4365±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:
BDBM50470628
Synonyms:
CHEMBL336896
Type:
Small organic molecule
Emp. Form.:
C36H41N3O5
Mol. Mass.:
595.7278
SMILES:
[H][C@]12C[C@]3([H])C[C@]([H])(C1)CC(CNC(=O)C1C(C4c5ccccc5C1c1ccccc41)C(=O)N1CCC[C@H]1C(=O)NCC(O)=O)(C2)C3 |wU:1.0,wD:37.43,3.3,6.6,TLB:22:23:16.15:25.30,26:25:16.15:23.18,8:1:46:6.9.5,8:6:46:1.45.2,THB:31:16:25.30:23.18,29:30:16.15:23.18,13:15:25.30:23.18,2:3:9:1.45.8,2:1:9:3.46.5,(21.82,-5.54,;20.54,-6.03,;21.6,-7.15,;20.28,-6.78,;20.53,-7.98,;20.28,-5.37,;19.37,-4.3,;19.34,-2.95,;20.57,-4.7,;18.13,-4.8,;18.13,-6.14,;16.96,-6.84,;16.99,-8.21,;15.82,-8.89,;14.84,-7.95,;15.15,-10.08,;14.11,-11.13,;14.13,-13.36,;12.17,-13.95,;10.56,-14.57,;8.98,-14.05,;9.32,-12.97,;11.02,-12.29,;12.77,-12.59,;15.15,-12,;17.19,-12.64,;19.06,-12.64,;20.38,-13.95,;19.7,-15.25,;17.65,-15.25,;16.46,-13.88,;18.89,-10.32,;19.37,-8.72,;20.44,-10.73,;21.01,-12.2,;22.62,-12.14,;23.04,-10.58,;21.68,-9.71,;23.08,-8.89,;23.06,-7.28,;24.46,-9.69,;25.43,-8.74,;26.74,-9.09,;28.08,-7.88,;27.08,-10.42,;19.37,-6.46,;19.04,-7.28,)|
Structure:
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