Reaction Details Report a problem with these data
Target
P2Y purinoceptor 12
Ligand
BDBM50345330
Substrate
n/a
Meas. Tech.
ChEMBL_752183 (CHEMBL1786559)
IC50
330±n/a nM
Citation
 Bach, P; Boström, J; Brickmann, K; van Giezen, JJ; Hovland, R; Petersson, AU; Ray, A; Zetterberg, F A novel series of piperazinyl-pyridine ureas as antagonists of the purinergic P2Y12 receptor. Bioorg Med Chem Lett 21:2877-81 (2011) [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:
BDBM50345330
Synonyms:
CHEMBL1784216 | Ethyl 6-(4-{[(2-chlorobenzyl)amino]carbonyl}piperazin-1-yl)-5-cyano-2-(trifluoro-methyl)nicotinate
Type:
Small organic molecule
Emp. Form.:
C22H21ClF3N5O3
Mol. Mass.:
495.882
SMILES:
CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)NCc1ccccc1Cl
Structure:
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