Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50033593
Substrate
n/a
Meas. Tech.
ChEMBL_48257 (CHEMBL662868)
IC50
3.4±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:
BDBM50033593
Synonyms:
CHEMBL356599 | Succinic acid mono-{2-[2-[(adamantane-2-carbonyl)-amino]-3-(1H-indol-3-yl)-2-methyl-propionylamino]-3-phenyl-propyl} ester
Type:
Small organic molecule
Emp. Form.:
C36H43N3O6
Mol. Mass.:
613.7431
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](COC(=O)CCC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:20:15:18.17.24,19:18:15:20.21.22,(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,;1.9,-4.75,;.46,-3.99,;-1.03,-4.3,;-1.34,-5.79,;-.6,-7.01,;.87,-6.71,;1.09,-5.3,;2.35,-7.61,;1.65,-6.23,;.08,-6.56,;7.22,-4.17,;8.53,-3.4,;7.2,-5.71,;8.53,-6.48,;9.86,-5.69,;11.2,-6.45,;12.52,-5.68,;12.51,-4.14,;13.86,-6.42,;15.19,-5.65,;16.53,-6.4,;17.87,-5.61,;16.56,-7.94,;8.53,-8.02,;9.86,-8.79,;11.23,-7.99,;12.51,-8.79,;12.51,-10.33,;11.18,-11.08,;9.85,-10.33,)|
Structure:
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