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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 4' and Ligand = 'BDBM50345485'   
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 4


(Homo sapiens (Human))
BDBM50345485
PNG
(CHEMBL1784893 | N4-Phenylethoxycytidine-5'-triphos...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(NOCCc2ccccc2)nc1=O |r|
Show InChI InChI=1S/C17H24N3O15P3/c21-14-12(10-32-37(27,28)35-38(29,30)34-36(24,25)26)33-16(15(14)22)20-8-6-13(18-17(20)23)19-31-9-7-11-4-2-1-3-5-11/h1-6,8,12,14-16,21-22H,7,9-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 73n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y4


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair