BDBM50294577 (2S,4S)-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)ethylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methylthio)pyrrolidine-2-carboxylic acid::CHEMBL559283
SMILES: O[C@@H]1[C@@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12
InChI Key: InChIKey=JUNARBZTVSAGMF-ODXIBGGOSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human)) | BDBM50294577 ((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)e...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant DNMT3b2 | Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human)) | BDBM50294577 ((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)e...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant DNMT1 | Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4 | |||||||||||
More data for this Ligand-Target Pair |