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BDBM50076462 CHEMBL440662::Phosphoric acid mono-[5-(6-methylamino-2-propylsulfanyl-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester

SMILES: CCCSc1nc(NC)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1

InChI Key: InChIKey=HHKPIONLVLWICK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50076462   
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)		BDBM50076462
PNG
(CHEMBL440662 | Phosphoric acid mono-[5-(6-methylam...)
Show SMILES CCCSc1nc(NC)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C14H23N5O9P2S/c1-3-4-31-14-17-12(15-2)11-13(18-14)19(7-16-11)10-5-8(28-30(23,24)25)9(27-10)6-26-29(20,21)22/h7-10H,3-6H2,1-2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)
MMDB

KEGG

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PC sid
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Similars
Article
PubMed
n/an/a 449n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.

J Med Chem 42: 1625-38 (1999)


Article DOI: 10.1021/jm980657j
BindingDB Entry DOI: 10.7270/Q28C9WZM
More data for this
Ligand-Target Pair