Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50281278
Substrate
n/a
Meas. Tech.
ChEBML_48252
IC50
91±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:
BDBM50281278
Synonyms:
CHEMBL94298 | [[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionyl]-(2-pyridin-2-yl-ethyl)-amino]-acetic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C33H40N4O5
Mol. Mass.:
572.6945
SMILES:
COC(=O)CN(CCc1ccccn1)C(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:16.30,35.37,wD:37.45,33.36,39.41,16.17,THB:34:35:38:32.33.41,36:37:32:35.34.40,36:35:32:37.38.41,(15.43,-10.41,;14.54,-9.17,;13.01,-9.32,;12.37,-10.72,;11.91,-8.22,;12.31,-6.74,;13.8,-6.35,;14.89,-7.43,;16.37,-7.05,;17.46,-8.13,;18.93,-7.75,;19.33,-6.26,;18.25,-5.16,;16.76,-5.56,;11.22,-5.65,;11.62,-4.16,;9.74,-6.05,;9.73,-4.51,;9.74,-7.59,;9.27,-9.06,;10.17,-10.3,;9.27,-11.56,;7.8,-11.08,;6.46,-11.86,;5.13,-11.09,;5.13,-9.54,;6.46,-8.77,;7.8,-9.54,;8.24,-6.45,;7.19,-5.3,;7.66,-3.83,;5.69,-5.62,;4.67,-4.48,;4.88,-2.85,;3.86,-3.88,;2.47,-4.15,;1.69,-2.88,;2.6,-1.78,;2.34,-3.37,;3.17,-4.72,;2.11,-5.86,;4.09,-1.55,)|
Structure:
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