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BDBM50104014 CHEMBL104784::Phosphoric acid mono-[3-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-propyl] ester

SMILES: CNc1nc(Cl)nc2n(CC(COP(O)(O)=O)COP(O)(O)=O)cnc12

InChI Key: InChIKey=GMCUIIHBWNOHIM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104014   
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 1


(Meleagris gallopavo)		BDBM50104014
PNG
(CHEMBL104784 | Phosphoric acid mono-[3-(2-chloro-6...)
Show SMILES CNc1nc(Cl)nc2n(CC(COP(O)(O)=O)COP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16ClN5O8P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23-25(17,18)19)4-24-26(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
MMDB

KEGG

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PubMed
n/an/a 480n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes

J Med Chem 44: 3092-108 (2001)


BindingDB Entry DOI: 10.7270/Q20864KX
More data for this
Ligand-Target Pair