Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50289878
Substrate
n/a
Meas. Tech.
ChEBML_40196
IC50
1540±n/a nM
Citation
 Augelli-Szafran, CE; Purchase, TS; Roth, BD; Tait, B; Trivedi, BK; Wilson, M; Suman-Chauhan, N; Webdale, L SAR study of the indole moiety of CI-988, a potent and selective CCK-B antagonist Bioorg Med Chem Lett 7:2009-2014 (1997)    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:
BDBM50289878
Synonyms:
CHEMBL293178 | [1-((1R,2R)-2-Hydroxy-1-hydroxymethyl-2-phenyl-ethylcarbamoyl)-1-methyl-2-(4-[1,2,3]thiadiazol-4-yl-phenyl)-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C32H38N4O5S
Mol. Mass.:
590.733
SMILES:
CC(Cc1ccc(cc1)-c1csnn1)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)[C@H](O)c1ccccc1 |wU:31.35,wD:34.39,TLB:27:26:24:21.20.22,THB:27:21:18.26.25:24,22:23:18:21.20.27,22:21:18:23.25.24,17:18:24:21.20.22,(7.68,-1.17,;7.69,-2.71,;8.08,-4.19,;7.68,-5.67,;6.33,-5.98,;5.91,-7.31,;6.87,-8.33,;8.22,-8.01,;8.64,-6.68,;6.47,-9.67,;7.31,-10.78,;6.51,-11.91,;5.18,-11.51,;5.16,-10.13,;6.37,-3.49,;5.02,-2.74,;5.02,-1.2,;3.7,-3.51,;2.36,-4.28,;1.03,-3.51,;.47,-4.75,;.47,-7.15,;-1.12,-7.43,;-.3,-5.82,;-.3,-4.28,;1.03,-6.59,;2.36,-5.82,;1.98,-7.59,;9.03,-3.46,;9.06,-5,;10.35,-2.67,;11.7,-3.43,;11.7,-4.97,;13.03,-5.74,;13.01,-2.65,;13.01,-1.1,;14.36,-3.41,;14.36,-4.95,;15.72,-5.7,;17.05,-4.92,;17.02,-3.38,;15.67,-2.62,)|
Structure:
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