BindingDB logo
myBDB logout

BDBM50062279 CHEMBL416789::Phosphoric acid mono-[5-(6-amino-purin-9-yl)-4-hydroxy-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester

SMILES: Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O

InChI Key: InChIKey=WHTCPDAXWFLDIH-UHFFFAOYSA-N

Data: 3 IC50  2 EC50

PDB links: 74 PDB IDs match this monomer.

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 5 hits for monomerid = 50062279   
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)
BDBM50062279
PNG
(CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 4.19E+3n/an/an/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Antagonist activity at P2Y1 receptor measured as capacity to inhibit 50% of phospholipase C stimulation elicited by 10 nM 2-MeSATP


J Med Chem 41: 183-90 (1998)

More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062279
PNG
(CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.28E+3n/an/an/an/a



National Institute of Diabetes

Curated by ChEMBL


Assay Description
Agonist activity at P2Y1 receptor measured as capacity to stimulate 50% phospholipase C in turkey erythrocyte membranes


J Med Chem 41: 183-90 (1998)

More data for this
Ligand-Target Pair
Choline acetylase


(Homo sapiens)
BDBM50062279
PNG
(CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PubMed
n/an/a 1.80E+12n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of choline acetyltransferase isolated from squid head ganglia


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


(Meleagris gallopavo)
BDBM50062279
PNG
(CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.34E+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)

More data for this
Ligand-Target Pair
P2Y purinoceptor 1


(Meleagris gallopavo)
BDBM50062279
PNG
(CHEMBL416789 | Phosphoric acid mono-[5-(6-amino-pu...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(OP(O)(O)=O)C1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.49E+4n/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