BDBM50135288 (1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-1,2,3-triol::(1S,2R,3S,4R)-4-(6-amino-9H-purin-9-yl)cyclopentane-1,2,3-triol::CHEMBL129014::NORARISTEROMYCIN
SMILES: Nc1ncnc2n(cnc12)[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O
InChI Key: InChIKey=VFKHECGAEJNAMV-HETMPLHPSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Adenosylhomocysteinase (Homo sapiens (Human)) | BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase | Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosylhomocysteinase (Plasmodium falciparum 3D7) | BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University Curated by ChEMBL | Assay Description Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase | Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Rattus norvegicus (rat)) | BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 692 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity to adenosine A2A receptor in rat striatal membranes by measuring displacement of specific [3H]-CGS- 21680 as radioligand | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Rattus norvegicus (rat)) | BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes Curated by ChEMBL | Assay Description Binding affinity to adenosine A1 receptor in rat brain membranes by measuring displacement of specific [3H]PIA as radioligand. | J Med Chem 38: 1174-88 (1995) BindingDB Entry DOI: 10.7270/Q2HQ40KN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosylhomocysteinase (Homo sapiens (Human)) | BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University Curated by ChEMBL | Assay Description Inhibitory activity of the compound against human S-adenosyl-L-homocysteine hydrolase | Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosylhomocysteinase (Plasmodium falciparum 3D7) | BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University Curated by ChEMBL | Assay Description Inhibitory activity of the compound against P. falciparum S-adenosyl-L-homocysteine hydrolase | Bioorg Med Chem Lett 13: 3963-5 (2003) BindingDB Entry DOI: 10.7270/Q2125S2X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosylhomocysteinase (Plasmodium falciparum 3D7) | BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum SAHH | Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosylhomocysteinase (Homo sapiens (Human)) | BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University Curated by ChEMBL | Assay Description Inhibition of human recombinant SAHH | Bioorg Med Chem Lett 18: 2615-8 (2008) Article DOI: 10.1016/j.bmcl.2008.03.029 BindingDB Entry DOI: 10.7270/Q2NK3FWJ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Adenosylhomocysteinase (Homo sapiens (Human)) | BDBM50135288 ((1S,2R,3S,4R)-4-(6-Amino-purin-9-yl)-cyclopentane-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu University Curated by ChEMBL | Assay Description Inhibition of human SAHH | Bioorg Med Chem 16: 3809-15 (2008) Article DOI: 10.1016/j.bmc.2008.01.046 BindingDB Entry DOI: 10.7270/Q2RJ4KB0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |