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BDBM50085818 CHEMBL166163::N6-Methyl-1,5-anhydro-2-(adenin-9-yl)-2,3-dideoxy-D-arabino-hexitol-6-triphosphate Tetraammonium

SMILES: CNc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1

InChI Key: InChIKey=OQJXSRJQGJTXKF-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50085818   
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)
BDBM50085818
PNG
(CHEMBL166163 | N6-Methyl-1,5-anhydro-2-(adenin-9-y...)
Show SMILES CNc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1
Show InChI InChI=1S/C12H20N5O12P3/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(18)9(26-3-7)4-27-31(22,23)29-32(24,25)28-30(19,20)21/h5-9,18H,2-4H2,1H3,(H,22,23)(H,24,25)(H,13,14,15)(H2,19,20,21)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 9.35E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts


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


(Meleagris gallopavo)
BDBM50085818
PNG
(CHEMBL166163 | N6-Methyl-1,5-anhydro-2-(adenin-9-y...)
Show SMILES CNc1ncnc2n(cnc12)C1COC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1
Show InChI InChI=1S/C12H20N5O12P3/c1-13-11-10-12(15-5-14-11)17(6-16-10)7-2-8(18)9(26-3-7)4-27-31(22,23)29-32(24,25)28-30(19,20)21/h5-9,18H,2-4H2,1H3,(H,22,23)(H,24,25)(H,13,14,15)(H2,19,20,21)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.37E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Inhibition of 30 nM 2-MeSADP stimulation of 2PY1-mediated phospholipase C (PLC) activity in Turkey erythocyte ghosts


Citation and Details
More data for this
Ligand-Target Pair