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Compile Data Set for Download or QSAR

Found 2 hits of affinity data for UniProtKB/TrEMBL: O88508   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA (cytosine-5)-methyltransferase 3A


(Mus musculus)
BDBM50544058
PNG
(CHEMBL4640631)
Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O
Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 900n/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 15 uM using 30-mer duplex DNA (22 AT bp) as substrate ...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A


(Mus musculus)
BDBM50544058
PNG
(CHEMBL4640631)
Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O
Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PubMed
n/an/an/a 900n/an/an/an/an/a



M. V. Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 5 uM using 30-mer duplex DNA (22 AT bp) as substrate p...


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair