Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50456330
Substrate
n/a
Meas. Tech.
ChEMBL_48257 (CHEMBL662868)
IC50
13±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:
BDBM50456330
Synonyms:
CHEMBL2304064
Type:
Small organic molecule
Emp. Form.:
C33H39N3O5
Mol. Mass.:
557.6799
SMILES:
[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:3.3,6.6,14.16,29.32,wD:41.45,1.0,TLB:8:6:44:1.43.2,8:1:44:9.6.5,THB:10:9:44:1.43.2,2:3:9:1.8.43,2:1:9:3.44.5,(9.27,-3.28,;10.78,-3.02,;9.99,-1.76,;10.9,-.65,;10.13,.67,;10.64,-2.25,;11.48,-3.6,;12.2,-4.96,;10.41,-4.75,;12.97,-3.35,;13.98,-4.49,;15.5,-4.18,;15.98,-2.72,;16.54,-5.32,;18.04,-4.99,;19.38,-4.22,;18.9,-2.94,;18.2,-1.17,;19.34,-.14,;18.71,1.27,;17.18,1.11,;16.04,2.14,;14.57,1.66,;14.25,.16,;15.4,-.87,;16.86,-.4,;19.08,-6.13,;18.61,-7.6,;20.59,-5.8,;21.62,-6.94,;21.16,-8.41,;22.19,-9.54,;23.7,-9.22,;21.73,-11.01,;23.13,-6.61,;23.59,-5.14,;25.1,-4.81,;25.57,-3.35,;24.53,-2.21,;23.02,-2.54,;22.56,-4,;13.18,-1.74,;14.68,-1.42,;12.16,-2.75,;12.39,-.42,)|
Structure:
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