BDBM50006215 (1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)adenine::(1S,2R,5R)-5-(6-Amino-purin-9-yl)-cyclopent-3-ene-1,2-diol::5-(6-Amino-purin-9-yl)-cyclopent-3-ene-1,2-diol::CHEMBL299961
SMILES: Nc1ncnc2n(cnc12)[C@@H]1C=C[C@@H](O)[C@H]1O
InChI Key: InChIKey=RQPALADHFYHEHK-JKMUOGBPSA-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)) | BDBM50006215 ((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolase | J Med Chem 31: 500-3 (1988) BindingDB Entry DOI: 10.7270/Q28P61Q3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosylhomocysteinase (Homo sapiens (Human)) | BDBM50006215 ((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kansas Curated by ChEMBL | Assay Description Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy). | J Med Chem 35: 1782-91 (1992) BindingDB Entry DOI: 10.7270/Q23J3BW0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosylhomocysteinase (Homo sapiens (Human)) | BDBM50006215 ((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description In vitro inhibitory activity of the compound against recombinant S-adenosyl-L-homocysteine hydrolase obtained from human placenta | Bioorg Med Chem Lett 14: 2091-3 (2004) Article DOI: 10.1016/j.bmcl.2004.02.039 BindingDB Entry DOI: 10.7270/Q2DR2TXQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosylhomocysteinase (Homo sapiens (Human)) | BDBM50006215 ((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 877 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of AHCY in human SH-SY5Y cells assessed as formation of homocysteine after 48 hrs by HPLC analysis | Bioorg Med Chem Lett 24: 2737-40 (2014) Article DOI: 10.1016/j.bmcl.2014.04.034 BindingDB Entry DOI: 10.7270/Q2VM4DTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosylhomocysteinase (Homo sapiens (Human)) | BDBM50006215 ((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of recombinant human AHCY using SAH as substrate assessed as formation of homocysteine after 10 mins | Bioorg Med Chem Lett 24: 2737-40 (2014) Article DOI: 10.1016/j.bmcl.2014.04.034 BindingDB Entry DOI: 10.7270/Q2VM4DTT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosylhomocysteinase (Homo sapiens (Human)) | BDBM50006215 ((1'R,2'S,3'R)-9-(2',3'-dihydroxycyclopent-4'-enyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109 | J Med Chem 54: 930-8 (2011) Article DOI: 10.1021/jm1010836 BindingDB Entry DOI: 10.7270/Q2D50N8H | |||||||||||
More data for this Ligand-Target Pair |