new BindingDB logo
myBDB logout

BDBM50448492 CHEMBL3126649

SMILES: Cc1cc(Nc2cccc(NC(=O)c3ccccc3Nc3ccnc4ccccc34)c2)nc(N)n1

InChI Key: InChIKey=JRXORZBMNPAEJP-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448492   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50448492
PNG
(CHEMBL3126649)
Show SMILES Cc1cc(Nc2cccc(NC(=O)c3ccccc3Nc3ccnc4ccccc34)c2)nc(N)n1
Show InChI InChI=1S/C27H23N7O/c1-17-15-25(34-27(28)30-17)31-18-7-6-8-19(16-18)32-26(35)21-10-3-5-12-23(21)33-24-13-14-29-22-11-4-2-9-20(22)24/h2-16H,1H3,(H,29,33)(H,32,35)(H3,28,30,31,34)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.86E+4n/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal 600 residues-deleted DNMT1 using poly(dI-dC) as substrate in presence of AdoMet


J Med Chem 57: 701-13 (2014)


Article DOI: 10.1021/jm4012627
BindingDB Entry DOI: 10.7270/Q2028T1Q
More data for this
Ligand-Target Pair