BindingDB logo
myBDB logout

PubMed code 16420053

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orphan methyltransferase M.SssI


(Spiroplasma monobiae strain MQ-1)
BDBM50180789
PNG
(1,2-bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-y...)
Show SMILES Cc1ccn2c(CCc3nnc4cc(C)ccn34)nnc2c1
Show InChI InChI=1S/C16H16N6/c1-11-5-7-21-13(17-19-15(21)9-11)3-4-14-18-20-16-10-12(2)6-8-22(14)16/h5-10H,3-4H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CpG methylase M.SssI


J Med Chem 49: 678-83 (2006)


Article DOI: 10.1021/jm050844z
BindingDB Entry DOI: 10.7270/Q20G3JR2
More data for this
Ligand-Target Pair
Orphan methyltransferase M.SssI


(Spiroplasma monobiae strain MQ-1)
BDBM50180790
PNG
(2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)prop...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CpG methylase M.SssI


J Med Chem 49: 678-83 (2006)


Article DOI: 10.1021/jm050844z
BindingDB Entry DOI: 10.7270/Q20G3JR2
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50180790
PNG
(2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)prop...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA methyl transferase in leukemic NALM6 cells


J Med Chem 49: 678-83 (2006)


Article DOI: 10.1021/jm050844z
BindingDB Entry DOI: 10.7270/Q20G3JR2
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Homo sapiens (Human))
BDBM50180789
PNG
(1,2-bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-y...)
Show SMILES Cc1ccn2c(CCc3nnc4cc(C)ccn34)nnc2c1
Show InChI InChI=1S/C16H16N6/c1-11-5-7-21-13(17-19-15(21)9-11)3-4-14-18-20-16-10-12(2)6-8-22(14)16/h5-10H,3-4H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against DNA methyl transferase in leukemic NALM6 cells


J Med Chem 49: 678-83 (2006)


Article DOI: 10.1021/jm050844z
BindingDB Entry DOI: 10.7270/Q20G3JR2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%