Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50449627
Substrate
n/a
Meas. Tech.
ChEMBL_40198 (CHEMBL652244)
IC50
1.7±n/a nM
Citation
 Fincham, CI; Horwell, DC; Ratcliffe, GS; Rees, DC The use of a proline ring as a conformational restraint in CCK-B receptor “dipeptoids”. Bioorg Med Chem Lett 2:403-406 (1992)    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:
BDBM50449627
Synonyms:
CHEMBL2021374
Type:
Small organic molecule
Emp. Form.:
C35H42N4O6
Mol. Mass.:
614.7312
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |r,wU:1.1,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(-14.19,2.72,;-13.77,4.2,;-12.46,3.43,;-12.47,1.89,;-13.72,1,;-13.26,-.48,;-11.72,-.48,;-10.69,-1.62,;-9.18,-1.32,;-8.7,.15,;-9.72,1.29,;-11.23,.99,;-15.28,4.5,;-16.31,3.34,;-15.81,1.89,;-17.82,3.65,;-18.85,2.5,;-20.33,2.7,;-21.49,1.92,;-21.1,.48,;-21.9,-1.04,;-20.57,-.27,;-21,1.25,;-19.08,-.45,;-18.43,1.02,;-19.69,.34,;-12.76,5.36,;-13.26,6.81,;-11.25,5.05,;-10.24,6.2,;-8.71,5.9,;-8.21,4.46,;-6.7,4.14,;-6.22,2.69,;-5.69,5.29,;-4.17,5,;-3.17,6.16,;-1.64,5.85,;-3.65,7.62,;-7.7,7.06,;-8.19,8.54,;-7.18,9.67,;-5.65,9.37,;-5.16,7.91,;-6.19,6.75,)|
Structure:
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