BDBM50142501 (+/-)-2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methylthio)butanoic acid::2-Amino-4-[(2S,3S,4R,5R)-5-(6-amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethylsulfanyl]-butyric acid::CHEMBL45041::S-adenosyl-homocysteine
SMILES: NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
InChI Key: InChIKey=ZJUKTBDSGOFHSH-ZRURSIFKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Fatty acid synthase (Homo sapiens (Human)) | BDBM50142501 ((+/-)-2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-9H-puri...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Pierre et Marie Curie Curated by ChEMBL | Assay Description Inhibition constant against Escherichia coli cyclopropane fatty acid synthase | Bioorg Med Chem Lett 14: 1661-4 (2004) Article DOI: 10.1016/j.bmcl.2004.01.051 BindingDB Entry DOI: 10.7270/Q26H4HZX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human)) | BDBM50142501 ((+/-)-2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-9H-puri...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Science and Technology of China Curated by ChEMBL | Assay Description Inhibition of recombinant human His6-SUMO tagged DOT1L (1 to 416 residues) expressed in Escherichia coli BL21(DE3) using oligonucleosome as substrate... | Bioorg Med Chem 26: 1751-1758 (2018) Article DOI: 10.1016/j.bmc.2018.02.020 BindingDB Entry DOI: 10.7270/Q2319ZHM | |||||||||||
More data for this Ligand-Target Pair |