Reaction Details  Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50470611
Substrate
n/a
Meas. Tech.
ChEMBL_49874 (CHEMBL857786)
Ki
1202±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:
BDBM50470611
Synonyms:
CHEMBL338728
Type:
Small organic molecule
Emp. Form.:
C45H45N3O5
Mol. Mass.:
707.8559
SMILES:
OC(=O)c1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2 |wD:12.13,TLB:50:45:52:49.51.48,50:49:52:45.44.46,21:23:33.38:26.31,27:26:23.24:33.38,37:38:23.24:26.31,39:24:33.38:26.31,46:47:51:45.44.50,THB:30:31:23.24:33.38,46:45:51:47.52.48,(15.95,-5.04,;17.28,-5.81,;18.63,-5.04,;17.28,-7.36,;18.62,-8.13,;18.62,-9.68,;17.28,-10.45,;15.96,-9.68,;15.96,-8.13,;14.64,-7.36,;13.09,-7.36,;12.69,-5.86,;12,-8.45,;12.4,-9.96,;13.74,-10.73,;13.7,-12.25,;15.05,-13.03,;16.38,-12.28,;16.38,-10.73,;15.06,-9.97,;10.51,-8.07,;9.02,-7.67,;9.48,-6.13,;4.42,-8.45,;5.42,-7.44,;5.42,-9.29,;7.39,-9.9,;9.18,-9.9,;10.45,-11.16,;9.79,-12.42,;7.83,-12.42,;6.68,-11.09,;4.45,-10.6,;2.56,-11.16,;1.01,-11.76,;-.52,-11.26,;-.18,-10.22,;1.45,-9.57,;3.14,-9.86,;6.07,-6.29,;5.12,-5.39,;7.2,-5.64,;7.16,-4.33,;8.29,-3.65,;9.48,-3.96,;10.61,-3.54,;11.63,-4.62,;10.35,-4.26,;10.35,-2.91,;9.48,-1.88,;10.63,-2.27,;8.29,-2.36,;9.16,-4.75,)|
Structure:
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