Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50449521
Substrate
n/a
Meas. Tech.
ChEMBL_40204 (CHEMBL652249)
IC50
23±n/a nM
Citation
 Suckling, CJ; Tedford, MC; Bence, LM; Irvine, JI; WH, WH The synthesis and CCK receptor affinities of selected carboyxlic acid mimics of CI-988 - a potent and selective CCK-B antagonist Bioorg Med Chem Lett 2:45-8 (1992)   
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:
BDBM50449521
Synonyms:
CHEMBL2304155
Type:
Small organic molecule
Emp. Form.:
C34H43N4O7P
Mol. Mass.:
650.7016
SMILES:
[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)CCP(O)(O)=O)c1ccccc1 |wU:1.36,6.6,wD:6.7,1.0,TLB:28:23:31:27.29.26,28:27:22.23.24:31,THB:26:27:22:25.24.31,26:25:22:27.29.28,21:22:31:27.29.26,(15.55,-8.55,;14.01,-8.55,;12.53,-8.15,;11.2,-8.92,;10.81,-7.43,;11.9,-6.35,;9.32,-7.42,;10.1,-5.77,;8.94,-5.55,;9.41,-4.09,;8.52,-2.85,;9.41,-1.59,;10.87,-2.08,;12.2,-1.29,;13.54,-2.06,;13.54,-3.62,;12.2,-4.39,;10.87,-3.62,;7.84,-6.63,;6.74,-7.71,;7.14,-9.2,;5.25,-7.31,;4.16,-8.4,;4.32,-9.92,;2.97,-10.41,;1.59,-10.09,;.54,-11.49,;1.99,-10.9,;3.46,-11.3,;1.8,-9.32,;2.71,-7.96,;1.42,-8.61,;14.4,-10.03,;14.79,-11.53,;13.7,-12.61,;16.29,-11.92,;16.68,-13.42,;15.59,-14.5,;14.1,-14.1,;17.13,-14.5,;15.98,-15.99,;15.34,-7.77,;16.68,-8.54,;18,-7.75,;17.99,-6.21,;16.64,-5.46,;15.31,-6.24,)|
Structure:
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