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SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1cnc2c(NCC(F)(F)F)nc(SCCC(F)(F)F)nc12

InChI Key: InChIKey=YOURNHNDAORFAL-WOUKDFQISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50167270   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
P2Y purinoceptor 12


(Homo sapiens (Human))		BDBM50167270
PNG
(CHEMBL1160364)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)n1cnc2c(NCC(F)(F)F)nc(SCCC(F)(F)F)nc12 |r|
Show InChI InChI=1S/C16H20Cl2F6N5O12P3S/c17-16(18,42(32,33)34)43(35,36)41-44(37,38)39-3-6-8(30)9(31)12(40-6)29-5-26-7-10(25-4-15(22,23)24)27-13(28-11(7)29)45-2-1-14(19,20)21/h5-6,8-9,12,30-31H,1-4H2,(H,35,36)(H,37,38)(H,25,27,28)(H2,32,33,34)/t6-,8-,9-,12-/m1/s1
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Article
PubMed
n/an/a 0.794n/an/an/an/an/an/a



Galecto Biotech

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y12 receptor in human platelets assessed as inhibition of ADP-induced platelet aggregation by turbidimetric method

Bioorg Med Chem Lett 26: 2739-2754 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.030
BindingDB Entry DOI: 10.7270/Q2FF3V86
More data for this
Ligand-Target Pair