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BDBM50085327 CHEMBL108166::MRS 2286::Phosphoric acid mono-[4-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-butyl] ester

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

InChI Key: InChIKey=PNKXGOOONVKRHI-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50085327   
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
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50085327
PNG
(CHEMBL108166 | MRS 2286 | Phosphoric acid mono-[4-...)
Show SMILES CNc1nc(Cl)nc2n(CCC(COP(O)(O)=O)COP(O)(O)=O)cnc12
Show InChI InChI=1S/C11H18ClN5O8P2/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/h6-7H,2-5H2,1H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 840n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
The compound was evaluated for antagonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes


Citation and Details
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50085327
PNG
(CHEMBL108166 | MRS 2286 | Phosphoric acid mono-[4-...)
Show SMILES CNc1nc(Cl)nc2n(CCC(COP(O)(O)=O)COP(O)(O)=O)cnc12
Show InChI InChI=1S/C11H18ClN5O8P2/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/h6-7H,2-5H2,1H3,(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

Patents


Similars

PubMed
n/an/a 840n/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