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BDBM50076466 2-(6-Methylamino-purin-9-yl)-5,7,9,11-tetraoxo-tetrahydro-1,4,6,8,10,12-hexaoxa-5lambda*5*,7lambda*5*,9lambda*5*,11lambda*5*-tetraphospha-cyclopentacyclododecene-5,7,9,11-tetraol::CHEMBL296960

SMILES: CNc1ncnc2n(cnc12)C1CC2OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2O1

InChI Key: InChIKey=BOKCRJWEZVNVFV-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50076466   
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)
BDBM50076466
PNG
(2-(6-Methylamino-purin-9-yl)-5,7,9,11-tetraoxo-tet...)
Show SMILES CNc1ncnc2n(cnc12)C1CC2OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2O1
Show InChI InChI=1S/C11H17N5O14P4/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6-7(26-8)3-25-31(17,18)28-33(21,22)30-34(23,24)29-32(19,20)27-6/h4-8H,2-3H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,12,13,14)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 158n/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)

More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076466
PNG
(2-(6-Methylamino-purin-9-yl)-5,7,9,11-tetraoxo-tet...)
Show SMILES CNc1ncnc2n(cnc12)C1CC2OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC2O1
Show InChI InChI=1S/C11H17N5O14P4/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6-7(26-8)3-25-31(17,18)28-33(21,22)30-34(23,24)29-32(19,20)27-6/h4-8H,2-3H2,1H3,(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,12,13,14)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 20n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached


J Med Chem 42: 1625-38 (1999)

More data for this
Ligand-Target Pair