Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50070420
Substrate
n/a
Meas. Tech.
ChEMBL_40216 (CHEMBL653062)
Ki
14±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:
BDBM50070420
Synonyms:
(2S,4S)-1-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-4-(2,4-dichloro-phenoxy)-piperidine-2-carboxylic acid | CHEMBL405468
Type:
Small organic molecule
Emp. Form.:
C35H39Cl2N3O6
Mol. Mass.:
668.607
SMILES:
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@@H](C[C@H]1C(O)=O)Oc1ccc(Cl)cc1Cl |wU:33.39,1.0,wD:1.13,31.42,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:19.18.25:21.22.23,15:16:25:21.23.20,(10.79,-4.05,;10.79,-5.59,;10.82,-7.13,;10.02,-8.45,;8.48,-8.58,;8.16,-10.09,;9.48,-10.86,;9.76,-12.36,;11.21,-12.88,;12.36,-11.85,;12.07,-10.37,;10.63,-9.86,;9.44,-4.82,;8.13,-5.63,;8.16,-7.17,;6.78,-4.89,;5.47,-5.69,;3.96,-5.24,;3.96,-3.67,;2.93,-2.42,;1.52,-3.03,;1.55,-4.53,;2.55,-5.82,;2.93,-4.89,;4.25,-4.41,;4.28,-2.93,;12.11,-4.79,;12.07,-3.25,;13.65,-4.79,;14.42,-3.48,;15.96,-3.48,;16.73,-4.79,;15.96,-6.14,;14.42,-6.14,;14.42,-7.68,;15.73,-8.45,;13.07,-8.42,;18.27,-4.82,;19.81,-4.82,;20.58,-6.14,;22.08,-6.14,;22.85,-4.82,;24.39,-4.82,;22.08,-3.48,;20.54,-3.48,;19.77,-2.16,)|
Structure:
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