Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50033598
Substrate
n/a
Meas. Tech.
ChEMBL_48257 (CHEMBL662868)
IC50
1.7±n/a nM
Citation
 Boden, PR; Higginbottom, M; Hill, DR; Horwell, DC; Hughes, J; Rees, DC; Roberts, E; Singh, L; Suman-Chauhan, N; Woodruff, GN Cholecystokinin dipeptoid antagonists: design, synthesis, and anxiolytic profile of some novel CCK-A and CCK-B selective and"mixed" CCK-A/CCK-B antagonists. J Med Chem 36:552-65 (1993) [PubMed]  Article 
Target
Name:
Gastrin/cholecystokinin type B receptor
Synonyms:
Cckbr | Cholecystokinin A | Cholecystokinin receptor | GASR_MOUSE | Gastrin/cholecystokinin type B receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
49196.59
Organism:
MOUSE
Description:
Cholecystokinin A CCKBR MOUSE::P56481
Residue:
453
Sequence:
MDLLKLNRSLQGPGPGSGSSLCRPGVSLLNSSSAGNLSCETPRIRGTGTRELELTIRITLYAVIFLMSVGGNVLIIVVLGLSRRLRTVTNAFLLSLAVSDLLLAVACMPFTLLPNLMGTFIFGTVICKAVSYLMGVSVSVSTLNLAAIALERYSAICRPLQARVWQTRSHAARVILATWLLSGLLMVPYPVYTVVQPVGPRILQCMHLWPSERVQQMWSVLLLILLFFIPGVVMAVAYGLISRELYLGLRFDGDNDSETQSRVRNQGGLPGGAAAPGPVHQNGGCRHVTSLTGEDSDGCYVQLPRSRLEMTTLTTPTTGPGPGPRPNQAKLLAKKRVVRMLLVIVLLFFVCWLPVYSANTWRAFDGPGARRALAGAPISFIHLLSYTSACANPLVYCFMHRRFRQACLDTCARCCPRPPRARPRPLPDEDPPTPSIASLSRLSYTTISTLGPG
  
Inhibitor
Name:
BDBM50033598
Synonyms:
CHEMBL345511 | N-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethyl}-succinamic acid
Type:
Small organic molecule
Emp. Form.:
C35H42N4O5
Mol. Mass.:
598.7318
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:29.34,1.0,wD:1.13,TLB:24:23:21:18.17.19,THB:13:15:21:18.17.19,24:18:21:15.23.22,19:20:15:18.17.24,19:18:15:20.21.22,(7.9,-1.29,;9.25,-2.06,;9.25,-.52,;9.73,.93,;8.83,2.18,;9.73,3.43,;11.21,2.95,;12.52,3.72,;13.87,2.95,;13.87,1.41,;12.52,.64,;11.21,1.41,;8.16,-3.14,;6.67,-2.74,;6.27,-1.25,;5.26,-3.38,;4.94,-4.86,;3.37,-5.11,;1.99,-4.3,;2.67,-5.55,;4.14,-5.29,;5.59,-6.27,;4.41,-3.89,;3.83,-2.58,;2.32,-2.82,;10.57,-2.83,;11.9,-2.06,;10.57,-4.37,;11.9,-5.14,;11.88,-6.67,;10.56,-7.45,;10.56,-8.99,;11.88,-9.76,;9.22,-9.75,;7.89,-8.98,;6.56,-9.75,;6.54,-11.29,;5.21,-8.98,;13.23,-7.45,;14.58,-6.65,;15.88,-7.45,;15.88,-8.99,;14.54,-9.76,;13.22,-8.99,)|
Structure:
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