Reaction Details Report a problem with these data
Target
P2Y purinoceptor 12
Ligand
BDBM50019017
Substrate
n/a
Meas. Tech.
ChEMBL_1361099 (CHEMBL3291814)
IC50
1.000000±n/a nM
Citation
 Giordanetto, F; Bach, P; Zetterberg, F; Antonsson, T; Bylund, R; Johansson, J; Sellén, M; Brown, D; Hideståhl, L; Berntsson, P; Hovdal, D; Zachrisson, H; Björkman, JA; van Giezen, JJ Optimization of ketone-based P2Y(12) receptor antagonists as antithrombotic agents: pharmacodynamics and receptor kinetics considerations. Bioorg Med Chem Lett 24:2963-8 (2014) [PubMed]  Article 
Target
Name:
P2Y purinoceptor 12
Synonyms:
ADP-glucose receptor | ADPG-R | HORK3 | P2RY12 | P2T(AC) | P2Y purinoceptor 12 | P2Y(AC) | P2Y(ADP) | P2Y(cyc) | P2Y12 | P2Y12 platelet ADP receptor | P2Y12_HUMAN | Purinergic receptor P2Y12 | SP1999
Type:
Enzyme
Mol. Mass.:
39458.48
Organism:
Homo sapiens (Human)
Description:
Q9H244
Residue:
342
Sequence:
MQAVDNLTSAPGNTSLCTRDYKITQVLFPLLYTVLFFVGLITNGLAMRIFFQIRSKSNFIIFLKNTVISDLLMILTFPFKILSDAKLGTGPLRTFVCQVTSVIFYFTMYISISFLGLITIDRYQKTTRPFKTSNPKNLLGAKILSVVIWAFMFLLSLPNMILTNRQPRDKNVKKCSFLKSEFGLVWHEIVNYICQVIFWINFLIVIVCYTLITKELYRSYVRTRGVGKVPRKKVNVKVFIIIAVFFICFVPFHFARIPYTLSQTRDVFDCTAENTLFYVKESTLWLTSLNACLDPFIYFFLCKSFRNSLISMLKCPNSATSLSQDNRKKEQDGGDPNEETPM
  
Inhibitor
Name:
BDBM50019017
Synonyms:
CHEMBL3288123
Type:
Small organic molecule
Emp. Form.:
C26H30N4O4S2
Mol. Mass.:
526.671
SMILES:
CCCC(=O)c1cc(C#N)c(nc1SC)N1CCC(CC1)C(=O)NS(=O)(=O)C1(CC1)c1ccccc1
Structure:
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