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BDBM50104018 CHEMBL323457::Phosphoric acid mono-[4-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-but-2-enyl] ester

SMILES: [#6]-[#7]-c1nc(Cl)nc2n(-[#6]\[#6]=[#6](\[#6]-[#8]P([#8])([#8])=O)-[#6]-[#8]P([#8])([#8])=O)cnc12

InChI Key: InChIKey=HSEYIZMENQZQTL-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50104018   
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)
BDBM50104018
PNG
(CHEMBL323457 | Phosphoric acid mono-[4-(2-chloro-6...)
Show SMILES CNc1nc(Cl)nc2n(CC=C(COP(O)(O)=O)COP(O)(O)=O)cnc12
Show InChI InChI=1S/C11H16ClN5O8P2/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)3-2-7(4-24-26(18,19)20)5-25-27(21,22)23/h2,6H,3-5H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes


Citation and Details
More data for this
Ligand-Target Pair