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SMILES: O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(SCc2ccccc2)nc1=O

InChI Key: InChIKey=GAKNKVDNBJHLIH-NMFUWQPSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50194156   
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 6


(Homo sapiens (Human))		BDBM50194156
PNG
((2R,3R,4S,5R)-4-(benzylthio)-1-(3,4-dihydroxy-5-(d...)
Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(SCc2ccccc2)nc1=O
Show InChI InChI=1S/C16H20N2O11P2S/c19-13-11(8-27-31(25,26)29-30(22,23)24)28-15(14(13)20)18-7-6-12(17-16(18)21)32-9-10-4-2-1-3-5-10/h1-7,11,13-15,19-20H,8-9H2,(H,25,26)(H2,22,23,24)/t11-,13-,14-,15-/m1/s1
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Article
PubMed
n/an/an/an/a 800n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in 1321N1 cells assessed as PLC-mediated [3H]IP production

J Med Chem 49: 5532-43 (2006)


Article DOI: 10.1021/jm060485n
BindingDB Entry DOI: 10.7270/Q2ZC83NW
More data for this
Ligand-Target Pair