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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 = 'BDBM50496860'   
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))		BDBM50496860
PNG
(CHEMBL1198849)
Show SMILES CO\N=c1/ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)[nH]1 |r|
Show InChI InChI=1S/C10H18N3O15P3/c1-24-12-6-2-3-13(10(16)11-6)9-8(15)7(14)5(26-9)4-25-30(20,21)28-31(22,23)27-29(17,18)19/h2-3,5,7-9,14-15H,4H2,1H3,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphat...

Medchemcomm 4: 1156-1165 (2013)


Article DOI: 10.1039/c3md00132f
BindingDB Entry DOI: 10.7270/Q20G3P36
More data for this
Ligand-Target Pair