Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50073729
Substrate
n/a
Meas. Tech.
ChEBML_48252
IC50
0.150000±n/a nM
Citation
 Padia, JK; Bolton, GL; Hill, D; Horell, DC; Roth, BD; Trivedi, BK Synthesis and sar study of novel CCK-B antagonists Bioorg Med Chem Lett 3:2805-2810 (1993)    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:
BDBM50073729
Synonyms:
(R)-3-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-4-phenyl-butyric acid | CHEMBL356898 | PD-140548
Type:
Small organic molecule
Emp. Form.:
C33H39N3O5
Mol. Mass.:
557.6799
SMILES:
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.1,wD:29.33,1.0,TLB:25:24:22:19.18.20,15:16:19.18.25:21.22.23,THB:25:19:22:16.24.23,20:19:16:21.22.23,20:21:16:19.18.25,15:16:22:19.18.20,(11.34,-6.2,;12.13,-7.56,;10.6,-7.56,;9.84,-8.91,;10.31,-10.38,;9.07,-11.27,;7.83,-10.38,;6.34,-10.7,;5.31,-9.55,;5.77,-8.08,;7.29,-7.76,;8.31,-8.92,;13.69,-10.86,;15.23,-10.87,;16.01,-9.52,;16.01,-12.2,;17.86,-12.93,;17.78,-14.48,;19.32,-15.08,;20.87,-14.55,;21.77,-15.87,;20.15,-15.13,;18.69,-15.64,;20.18,-13.68,;19.37,-12.43,;20.96,-12.99,;12.89,-6.23,;12.13,-4.9,;14.44,-6.23,;15.2,-4.88,;16.74,-4.88,;17.5,-6.2,;19.02,-6.2,;16.74,-7.53,;14.42,-3.55,;15.18,-2.23,;14.38,-.91,;15.15,.42,;16.69,.43,;17.46,-.89,;16.7,-2.23,)|
Structure:
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