Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50005829
Substrate
n/a
Meas. Tech.
ChEBML_48256
IC50
3530±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:
BDBM50005829
Synonyms:
6-{[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-carbamoyl}-hexanoic acid ethyl ester | CHEMBL289239
Type:
Small organic molecule
Emp. Form.:
C40H53N3O5
Mol. Mass.:
655.8659
SMILES:
CCOC(=O)CCCCCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:43.51,39.42,wD:41.43,45.47,TLB:37:38:44:41.46.42,THB:40:39:44:41.46.42,40:41:44:38.39.47,(15.82,-18.44,;14.48,-17.65,;14.5,-16.11,;13.16,-15.34,;11.84,-16.1,;13.18,-13.8,;11.85,-13.02,;11.87,-11.48,;10.53,-10.69,;10.55,-9.15,;9.22,-8.38,;7.87,-9.15,;9.24,-6.84,;10.69,-6.39,;11.81,-7.45,;13.29,-7,;14.41,-8.05,;15.89,-7.61,;16.24,-6.11,;15.11,-5.05,;13.64,-5.5,;8.37,-5.58,;6.84,-5.69,;7.61,-7.02,;5.59,-4.79,;5.75,-3.25,;4.6,-2.25,;5.23,-.83,;6.75,-.97,;7.89,.05,;9.35,-.4,;9.69,-1.92,;8.54,-2.96,;7.09,-2.48,;6.07,-7,;4.53,-7,;3.79,-5.66,;3.75,-8.32,;2.21,-8.29,;2.21,-9.82,;1.19,-11.08,;-.21,-10.52,;-1.72,-10.92,;-.51,-9.67,;-.53,-8.18,;.81,-7.71,;-.22,-8.93,;.8,-10.15,)|
Structure:
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