null
SMILES: CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1
InChI Key: InChIKey=XNOBOKJVOTYSJV-KQYNXXCUSA-N
PDB links: 3 PDB IDs match this monomer.
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by PDSP Ki Database | J Pharmacol Exp Ther 310: 407-16 (2004) Article DOI: 10.1124/jpet.103.064907 BindingDB Entry DOI: 10.7270/Q2SQ8XZR | ||||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
S-adenosylmethionine synthase isoform type-1/type-2 (Rattus norvegicus) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | 1.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory constant against rat Methionine adenosyltransferase was reported | J Med Chem 29: 318-22 (1986) BindingDB Entry DOI: 10.7270/Q2DF6RSH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
S-adenosylmethionine synthase isoform type-2 (Rattus norvegicus) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory constant against rat kidney Methionine adenosyltransferase II | J Med Chem 29: 318-22 (1986) BindingDB Entry DOI: 10.7270/Q2DF6RSH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 1 (Meleagris gallopavo) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 3 (Homo sapiens (Human)) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | n/a | 350 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 3 (P2X3) at 10 uM, expressed in Xenopus oocytes | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
P2Y purinoceptor 11 (Homo sapiens (Human)) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against phospholipase C coupled human P2Y purinoceptor 11 (P2Y11) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 2 (RAT) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant rat receptor P2X purinoceptor 2 (P2X2) at 10 uM, expressed in Xenopus oocytes | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 6 (Homo sapiens (Human)) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 6 (P2Y6) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 6 (Rattus norvegicus) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Antagonist activity against recombinant rat P2X purinoceptor 6 (P2X6 ) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (RAT) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant rat P2X purinoceptor 4 (P2X4) 3 uM | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 12 (Rattus norvegicus) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Antagonist activity against phospholipase C coupled rat P2Y purinoceptor 12 (P2Y12) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
P2X purinoceptor 1 (Homo sapiens (Human)) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 54 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description The compound was evaluated for antagonist activity against recombinant human P2X purinoceptor 1 (P2X1 ) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (Homo sapiens (Human)) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Antagonist activity against recombinant human P2X purinoceptor 4 (P2X4) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 5 (Rattus norvegicus) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Antagonist activity against recombinant rat P2X purinoceptor 5 (P2X5) | J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 1 (Meleagris gallopavo) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranes | J Med Chem 45: 2090-100 (2002) BindingDB Entry DOI: 10.7270/Q25H7GZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 1 (Homo sapiens (Human)) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptor | J Med Chem 45: 2090-100 (2002) BindingDB Entry DOI: 10.7270/Q25H7GZB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2Y purinoceptor 1 (Rattus norvegicus) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Bar-Ilan University Curated by ChEMBL | Assay Description Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cells | J Med Chem 47: 4405-16 (2004) Article DOI: 10.1021/jm049771u BindingDB Entry DOI: 10.7270/Q2PC334S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (Mus musculus) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity at mouse P2X4 receptor by cell-based calcium influx assay | J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (RAT) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay | J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (Homo sapiens (Human)) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub... | J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 2 (Homo sapiens (Human)) | BDBM50118232 (2-MeSATP | ATP, 2-meS | CHEMBL336208) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by PDSP Ki Database | J Pharmacol Exp Ther 310: 407-16 (2004) Article DOI: 10.1124/jpet.103.064907 BindingDB Entry DOI: 10.7270/Q2SQ8XZR | ||||||||||||
More data for this Ligand-Target Pair |