BDBM50544059 CHEMBL4171551
SMILES: CCC1CCC2OC3(CC[C@@H](C)C(C[C@H](C)O)O3)[C@H](C)C(OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C\C=C\C=C\1)[C@H]2C
InChI Key: InChIKey=MNULEGDCPYONBU-VVXVDZGXSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNMT3A2/3L complex (Homo sapiens (Human)) | BDBM50544059![]() (CHEMBL4171551) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | Purchase PC cid PC sid UniChem | PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
M. V. Lomonosov Moscow State University Curated by ChEMBL | Assay Description Binding affinity to DNMT3A catalytic domain (unknown origin) assessed as inhibition of enzyme-mediated DNA methylation preincubated for 1 hr followed... | Bioorg Med Chem Lett 30: (2020) | |||||||||||
More data for this Ligand-Target Pair |