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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50500441'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2Y purinoceptor 12


(Homo sapiens (Human))
BDBM50500441
PNG
(CHEMBL3746502)
Show SMILES [Na;v0+].[Na;v0+].[Na;v0+].[Na;v0+].[#7]-c1nc(Cl)nc2n(cnc12)-[#6@@H]-1-[#8]-[#6@H](-[#6]-[#8]P([#16-])(=O)[#8]P([#8-])(=O)[#6](Cl)P([#8-])(=O)[#8]P([#16-])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8])-n2cnc3c(-[#7])nc(Cl)nc23)-[#6@@H](-[#8])-[#6@H]-1-[#8] |r|
Show InChI InChI=1S/C21H27Cl3N10O16P4S2.4Na/c22-19-29-13(25)7-15(31-19)33(3-27-7)17-11(37)9(35)5(47-17)1-45-53(43,55)49-51(39,40)21(24)52(41,42)50-54(44,56)46-2-6-10(36)12(38)18(48-6)34-4-28-8-14(26)30-20(23)32-16(8)34;;;;/h3-6,9-12,17-18,21,35-38H,1-2H2,(H,39,40)(H,41,42)(H,43,55)(H,44,56)(H2,25,29,31)(H2,26,30,32);;;;/q;4*+1/p-4/t5-,6-,9-,10-,11-,12-,17-,18-,21?,53?,54?;;;;/m1..../s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



GLSynthesis, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human platelet P2Y12 receptor assessed as inhibition of ADP-mediated decrease in intra-platelet phosphorylated VASP by FLUO-4 ...


Eur J Med Chem 107: 204-18 (2016)


Article DOI: 10.1016/j.ejmech.2015.10.055
BindingDB Entry DOI: 10.7270/Q2PN98NM
More data for this
Ligand-Target Pair