Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50005810
Substrate
n/a
Meas. Tech.
ChEMBL_48256 (CHEMBL662867)
IC50
125±n/a nM
Citation
 Fincham, CI; Higginbottom, M; Hill, DR; Horwell, DC; O'Toole, JC; Ratcliffe, GS; Rees, DC; Roberts, E Amide bond replacements incorporated into CCK-B selective"dipeptoids". J Med Chem 35:1472-84 (1992) [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:
BDBM50005810
Synonyms:
CHEMBL286442 | [2-(1H-Indol-3-yl)-1-(2-phenethyl-4,5-dihydro-thiazol-5-yl)-ethyl]-carbamic acid adamantan-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C32H37N3O2S
Mol. Mass.:
527.72
SMILES:
O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.37,wD:31.41,35.38,29.43,t:18,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:33:28:31.36.30,(5.05,-4.21,;5.78,-5.56,;7.35,-5.59,;8.13,-4.24,;6.88,-3.35,;7.04,-1.81,;5.88,-.81,;6.49,.6,;8.03,.47,;9.15,1.5,;10.63,1.05,;10.95,-.49,;9.82,-1.52,;8.35,-1.04,;9.6,-4.66,;10.15,-6.07,;11.69,-6.01,;12.07,-4.5,;13.61,-4.41,;14.48,-5.69,;15.85,-4.95,;17.14,-5.78,;18.49,-5.08,;18.57,-3.54,;17.26,-2.71,;15.89,-3.44,;10.79,-3.67,;5.01,-6.88,;3.47,-6.84,;3.47,-8.38,;2.45,-9.63,;1.06,-9.09,;-.44,-9.51,;.75,-8.22,;.75,-6.75,;2.1,-6.27,;1.04,-7.48,;2.06,-8.7,)|
Structure:
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