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BDBM50215404 CHEMBL227235::[3-(2-iodo-6-methylaminopurin-9-yl)-2-phosphonomethylpropyl]-phosphonic acid

SMILES: CNc1nc(I)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12

InChI Key: InChIKey=GHMVWKJOLWGSGQ-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50215404   
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))
BDBM50215404
PNG
(CHEMBL227235 | [3-(2-iodo-6-methylaminopurin-9-yl)...)
Show SMILES CNc1nc(I)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16IN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
66n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]MRS2270 from human P2Y1 receptor expressed in Sf9 cells


J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50215404
PNG
(CHEMBL227235 | [3-(2-iodo-6-methylaminopurin-9-yl)...)
Show SMILES CNc1nc(I)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16IN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 794n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeS-ADP-stimulated PLC activity


J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair
Purinergic receptor P2Y1


(Homo sapiens (Human))
BDBM50215404
PNG
(CHEMBL227235 | [3-(2-iodo-6-methylaminopurin-9-yl)...)
Show SMILES CNc1nc(I)nc2n(CC(CP(O)(O)=O)CP(O)(O)=O)cnc12
Show InChI InChI=1S/C10H16IN5O6P2/c1-12-8-7-9(15-10(11)14-8)16(5-13-7)2-6(3-23(17,18)19)4-24(20,21)22/h5-6H,2-4H2,1H3,(H,12,14,15)(H2,17,18,19)(H2,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 790n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Antagonist activity at human P2Y1 receptor expressed in 1321N1 cells assessed as inhibition of 2-MeSADP-induced inositol phosphate formation


J Med Chem 50: 3229-41 (2007)


Article DOI: 10.1021/jm0700971
BindingDB Entry DOI: 10.7270/Q2BK1C2D
More data for this
Ligand-Target Pair