Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50470630
Substrate
n/a
Meas. Tech.
ChEMBL_49874 (CHEMBL857786)
Ki
302±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:
BDBM50470630
Synonyms:
CHEMBL436187
Type:
Small organic molecule
Emp. Form.:
C46H45N11O3
Mol. Mass.:
799.9214
SMILES:
O=C(Nc1cc(cc(c1)-n1cnnn1)-n1cnnn1)[C@H](Cc1ccccc1)NC(=O)C1C(C2c3ccccc3C1c1ccccc21)C(=O)NCC12CC3CC(CC(C3)C1)C2 |wD:19.22,TLB:34:33:30.31:40.45,28:30:33.38:40.45,46:31:33.38:40.45,53:54:58:52.51.57,57:56:59:52.51.53,57:52:59:56.58.55,44:45:30.31:33.38,THB:37:38:30.31:40.45,53:52:58:54.59.55,(12.72,-5.87,;13.12,-7.37,;14.66,-7.37,;15.99,-8.14,;17.31,-7.37,;18.66,-8.14,;18.66,-9.69,;17.31,-10.47,;15.99,-9.69,;17.72,-11.95,;16.75,-13.15,;17.59,-14.46,;19.08,-14.05,;19.15,-12.5,;19.99,-7.37,;21.41,-7.98,;22.44,-6.84,;21.67,-5.5,;20.15,-5.82,;12.02,-8.47,;12.43,-9.97,;13.76,-10.75,;15.08,-9.98,;16.41,-10.75,;16.41,-12.3,;15.07,-13.05,;13.73,-12.28,;10.53,-8.08,;9.04,-7.68,;9.5,-6.14,;4.43,-8.47,;5.43,-7.46,;5.43,-9.31,;7.4,-9.92,;9.2,-9.92,;10.47,-11.18,;9.81,-12.44,;7.84,-12.44,;6.69,-11.11,;4.45,-10.62,;2.56,-11.18,;1.01,-11.78,;-.52,-11.28,;-.18,-10.24,;1.45,-9.59,;3.14,-9.88,;6.08,-6.3,;5.13,-5.4,;7.21,-5.65,;7.18,-4.34,;8.31,-3.66,;9.5,-3.97,;10.63,-3.55,;11.65,-4.63,;10.37,-4.27,;10.37,-2.92,;9.5,-1.88,;10.65,-2.27,;8.31,-2.37,;9.18,-4.76,)|
Structure:
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