Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50007439
Substrate
n/a
Meas. Tech.
ChEMBL_48263 (CHEMBL663168)
IC50
0.700000±n/a nM
Citation
 Horwell, DC; Hughes, J; Hunter, JC; Pritchard, MC; Richardson, RS; Roberts, E; Woodruff, GN Rationally designed"dipeptoid" analogues of CCK. alpha-Methyltryptophan derivatives as highly selective and orally active gastrin and CCK-B antagonists with potent anxiolytic properties. J Med Chem 34:404-14 (1991) [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:
BDBM50007439
Synonyms:
3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-1-phenyl-ethylcarbamoyl}-acrylic acid | CHEMBL341460
Type:
Small organic molecule
Emp. Form.:
C35H40N4O6
Mol. Mass.:
612.7153
SMILES:
C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)C=CC(O)=O)c1ccccc1 |w:35.40,wU:21.28,17.19,1.0,wD:1.13,30.35,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(7.42,-12.42,;7.33,-10.91,;7.31,-9.36,;8.4,-8.29,;7.5,-7.05,;8.4,-5.8,;9.88,-6.28,;11.19,-5.5,;12.54,-6.27,;12.54,-7.82,;11.19,-8.59,;9.88,-7.82,;5.99,-11.7,;4.64,-10.94,;4.64,-9.4,;3.32,-11.71,;1.78,-11.71,;1.07,-13.06,;-.42,-13.72,;-1.41,-12.58,;-2.95,-12.26,;-1.31,-11.68,;-.63,-10.35,;.78,-10.54,;-.7,-11.16,;-.34,-12.73,;8.66,-11.67,;9.99,-10.87,;8.68,-13.21,;10.03,-13.96,;11.36,-13.19,;12.67,-12.38,;14.22,-12.38,;14.22,-10.84,;15.53,-11.61,;16.88,-12.37,;18.22,-11.58,;19.55,-12.35,;18.2,-10.04,;12.69,-13.95,;14.01,-13.16,;15.34,-13.92,;15.37,-15.47,;14.04,-16.24,;12.69,-15.49,)|
Structure:
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