Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50033586
Substrate
n/a
Meas. Tech.
ChEMBL_48257 (CHEMBL662868)
IC50
0.21±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:
BDBM50033586
Synonyms:
3-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indol-3-yl)-2-methyl-propionylamino]-4-phenyl-butyric acid | CHEMBL359292
Type:
Small organic molecule
Emp. Form.:
C33H39N3O4
Mol. Mass.:
541.6805
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:22:18.24.19,17:18:22:15.16.21,THB:17:16:22:18.24.19,19:20:15:18.17.24,19:18:15:20.22.21,(4.56,-2.63,;5.88,-3.4,;5.9,-1.86,;6.38,-.4,;5.47,.83,;6.38,2.09,;7.84,1.6,;9.18,2.4,;10.5,1.63,;10.5,.06,;9.18,-.71,;7.84,.06,;4.79,-4.47,;3.3,-4.07,;2.92,-2.58,;2,-4.89,;1.89,-6.4,;2.74,-7.71,;1.17,-6.96,;-.25,-7.42,;-1.11,-6.29,;.39,-6.9,;-.98,-4.78,;.46,-4.31,;1.23,-5.55,;7.22,-4.17,;8.53,-3.4,;7.2,-5.71,;8.53,-6.48,;9.86,-5.69,;11.4,-5.69,;12.17,-4.36,;12.17,-7.03,;8.53,-8.02,;9.86,-8.79,;9.85,-10.33,;11.18,-11.08,;12.51,-10.33,;12.51,-8.79,;11.23,-7.99,)|
Structure:
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