Reaction Details Report a problem with these data
Target
Cholecystokinin receptor type A
Ligand
BDBM50002881
Substrate
n/a
Meas. Tech.
ChEMBL_439004 (CHEMBL889350)
Ki
372±n/a nM
Citation
McDonald, IM; Black, JW; Buck, IM; Dunstone, DJ; Griffin, EP; Harper, EA; Hull, RA; Kalindjian, SB; Lilley, EJ; Linney, ID; Pether, MJ; Roberts, SP; Shaxted, ME; Spencer, J; Steel, KI; Sykes, DA; Walker, MK; Watt, GF; Wright, L; Wright, PT; Xun, W Optimization of 1,3,4-benzotriazepine-based CCK(2) antagonists to obtain potent, orally active inhibitors of gastrin-mediated gastric acid secretion. J Med Chem 50:3101-12 (2007) [PubMed] Article
More Info.:
Target
Name:
Cholecystokinin receptor type A
Synonyms:
CCK-A receptor | CCK-AR | CCK1-R | CCKAR | CCKAR_HUMAN | CCKRA | Cholecystokinin receptor | Cholecystokinin receptor type A | Cholecystokinin-1 Receptor
Type:
G Protein-Coupled Receptor (GPCR)
Mol. Mass.:
47859.34
Organism:
Homo sapiens (Human)
Description:
Stable expression of human CCK-1 receptors in HEK 293 cells.
Residue:
428
Sequence:
MDVVDSLLVNGSNITPPCELGLENETLFCLDQPRPSKEWQPAVQILLYSLIFLLSVLGNTLVITVLIRNKRMRTVTNIFLLSLAVSDLMLCLFCMPFNLIPNLLKDFIFGSAVCKTTTYFMGTSVSVSTFNLVAISLERYGAICKPLQSRVWQTKSHALKVIAATWCLSFTIMTPYPIYSNLVPFTKNNNQTANMCRFLLPNDVMQQSWHTFLLLILFLIPGIVMMVAYGLISLELYQGIKFEASQKKSAKERKPSTTSSGKYEDSDGCYLQKTRPPRKLELRQLSTGSSSRANRIRSNSSAANLMAKKRVIRMLIVIVVLFFLCWMPIFSANAWRAYDTASAERRLSGTPISFILLLSYTSSCVNPIIYCFMNKRFRLGFMATFPCCPNPGPPGARGEVGEEEEGGTTGASLSRFSYSHMSASVPPQ
Inhibitor
Name:
BDBM50002881
Synonyms:
CHEMBL227369
Type:
Small organic molecule
Emp. Form.:
C33H38N4O5
Mol. Mass.:
570.6786
SMILES:
CC(C)(C)C(=O)CN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C12CC3CC(CC(C3)C1)C2 |c:15,TLB:14:32:35:39.38.37,THB:33:34:37:41.32.40,33:32:35.34.39:37,40:32:35:39.38.37,40:38:35:41.33.32,14:32:35.34.39:37|