Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50070410
Substrate
n/a
Meas. Tech.
ChEBML_40213
Ki
1700±n/a nM
Citation
 Bellier, B; Da Nascimento, S; Meudal, H; Gincel, E; Roques, BP; Garbay, C Novel constrained CCK-B dipeptoid antagonists derived from pipecolic acid. Bioorg Med Chem Lett 8:1419-24 (1999) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
Cckbr | Cholecystokinin A | Cholecystokinin B receptor | Cholecystokinin receptor | GASR_RAT | Gastrin/cholecystokinin type B receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
48980.43
Organism:
RAT
Description:
Cholecystokinin A CCKBR RAT::P30553
Residue:
452
Sequence:
MELLKLNRSVQGPGPGSGSSLCRPGVSLLNSSSAGNLSCDPPRIRGTGTRELEMAIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAISYLMGVSVSVSTLNLVAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTMVQPVGPRVLQCMHRWPSARVQQTWSVLLLLLLFFIPGVVIAVAYGLISRELYLGLHFDGENDSETQSRARNQGGLPGGAAPGPVHQNGGCRPVTSVAGEDSDGCCVQLPRSRLEMTTLTTPTPGPVPGPRPNQAKLLAKKRVVRMLLVIVLLFFLCWLPVYSVNTWRAFDGPGAQRALSGAPISFIHLLSYVSACVNPLVYCFMHRRFRQACLDTCARCCPRPPRARPQPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50070410
Synonyms:
CHEMBL105618 | [2-(4-Benzoyl-piperidin-1-yl)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C35H41N3O4
Mol. Mass.:
567.7177
SMILES:
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)NC(C)(Cc1c[nH]c4ccccc14)C(=O)N1CCC(CC1)C(=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:3.3,42.47,wD:1.0,6.6,TLB:10:9:5:1.8.2,THB:44:42:5:1.8.2,44:1:5:9.42.45,2:3:9:1.44.8,2:1:9:3.5.45,10:9:1.44.8:3.5.45,(.37,-4.95,;.95,-6.36,;-.8,-6.4,;.55,-7.17,;-.61,-8.19,;1.12,-8.59,;2.75,-8.43,;3.39,-9.82,;1.53,-7.65,;3.85,-7.36,;5.2,-8.11,;6.53,-7.31,;6.6,-5.77,;7.81,-8.15,;9.19,-7.46,;8.83,-8.96,;9.28,-5.92,;10.32,-4.79,;11.85,-4.96,;12.49,-3.57,;11.36,-2.53,;11.39,-1,;10.07,-.2,;8.74,-.97,;8.72,-2.5,;10.03,-3.27,;10.48,-8.3,;10.4,-9.84,;11.86,-7.6,;12.91,-6.47,;14.35,-7.45,;15.68,-7.32,;14.63,-8.47,;13.1,-7.47,;16.81,-8.39,;16.44,-9.9,;18.28,-7.95,;18.63,-6.46,;20.11,-6.01,;21.24,-7.08,;20.87,-8.58,;19.39,-9.01,;3.3,-5.96,;4.42,-4.92,;2.02,-5.33,;1.68,-6.07,)|
Structure:
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