Reaction Details Report a problem with these data
Target
Gastrin/cholecystokinin type B receptor
Ligand
BDBM50073727
Substrate
n/a
Meas. Tech.
ChEMBL_40202 (CHEMBL652247)
IC50
13±n/a nM
Citation
 de la Figuera, N; Martín-Martínez, M; Herranz, R; García-López, MT; Latorre, M; Cenarruzabeitia, E; del Río, J; González-Muñiz, R Highly constrained dipeptoid analogues containing a type II' beta-turn mimic as novel and selective CCK-A receptor ligands. Bioorg Med Chem Lett 9:43-8 (1999) [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:
BDBM50073727
Synonyms:
(S)-3-[(S)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionylamino]-4-phenyl-butyric acid | CHEMBL145133 | PD-140547
Type:
Small organic molecule
Emp. Form.:
C33H39N3O5
Mol. Mass.:
557.6799
SMILES:
C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.1,29.33,wD:1.0,TLB:25:24:22:19.18.20,15:16:19.18.25:21.22.23,THB:25:19:22:16.24.23,20:19:16:21.22.23,20:21:16:19.18.25,15:16:22:19.18.20,(11.44,-4.79,;12.24,-6.15,;10.69,-6.15,;9.93,-7.51,;10.42,-8.97,;9.17,-9.86,;7.93,-8.97,;6.43,-9.3,;5.41,-8.14,;5.87,-6.68,;7.37,-6.35,;8.4,-7.51,;13.8,-9.46,;15.33,-9.46,;16.12,-8.1,;16.12,-10.79,;17.98,-11.52,;17.89,-13.08,;19.44,-13.68,;21,-13.15,;21.89,-14.47,;20.27,-13.74,;18.81,-14.24,;20.3,-12.28,;19.48,-11.02,;21.07,-11.59,;13,-4.82,;12.24,-3.49,;14.54,-4.82,;15.3,-3.46,;16.85,-3.46,;17.61,-4.79,;19.14,-4.79,;16.85,-6.11,;14.53,-2.13,;15.29,-.81,;14.49,.52,;15.26,1.85,;16.79,1.85,;17.58,.52,;16.82,-.81,)|
Structure:
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