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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM50076459'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076459
PNG
(CHEMBL43868 | Phosphoric acid mono-[5-(6-amino-2-e...)
Show SMILES CCSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C12H19N5O9P2S/c1-2-29-12-15-10(13)9-11(16-12)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,2-4H2,1H3,(H2,13,15,16)(H2,18,19,20)(H2,21,22,23)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.59E+3n/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
More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50076459
PNG
(CHEMBL43868 | Phosphoric acid mono-[5-(6-amino-2-e...)
Show SMILES CCSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1
Show InChI InChI=1S/C12H19N5O9P2S/c1-2-29-12-15-10(13)9-11(16-12)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,2-4H2,1H3,(H2,13,15,16)(H2,18,19,20)(H2,21,22,23)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.98E+3n/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)


Article DOI: 10.1021/jm980657j
More data for this
Ligand-Target Pair