new BindingDB logo
myBDB logout

BDBM50031317 CHEMBL3358015

SMILES: OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12

InChI Key: InChIKey=LJWMTSMUQJNHOC-UHFFFAOYNA-N

Data: 8 IC50  1 Kd

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 9 hits for monomerid = 50031317   
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


(Mus musculus)
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 1.09E+3n/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) by SPR assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
More data for this
Ligand-Target Pair
Protein-arginine N-methyltransferase 1


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
PDB

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.71E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of PRMT1 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
More data for this
Ligand-Target Pair
SET domain-containing protein 7/9 (Set7/9)


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SET7/9 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
More data for this
Ligand-Target Pair
Myeloid/lymphoid or mixed-lineage leukemia (MLL)


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of MLL1 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1


(Mus musculus)
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.03E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged mouse DNMT1 (731 to 1602 residues) expressed in Escherichia coli BL21 (DE3) incubated for 15 mins before additio...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
More data for this
Ligand-Target Pair
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNMT3B (unknown origin) incubated for 15 mins before addition of [3H]-SAM and poly(dI-dC).poly(dI-dC) by liquid scintillation counting ...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
More data for this
Ligand-Target Pair
DNMT3A2/3L complex


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNMT3A (unknown origin) incubated for 15 mins before addition of [3H]-SAM and poly(dI-dC).poly(dI-dC) by liquid scintillation counting ...


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H1


(Homo sapiens (Human))
BDBM50031317
PNG
(CHEMBL3358015)
Show SMILES OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1/C25H25N3O/c29-19(16-26-14-13-18-15-27-23-10-4-1-7-20(18)23)17-28-24-11-5-2-8-21(24)22-9-3-6-12-25(22)28/h1-12,15,19,26-27,29H,13-14,16-17H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of SUV39H1 (unknown origin) incubated for 15 mins before addition of biotinylated peptide H3 (1 to 21) and SAM by methylation assay


J Med Chem 57: 9028-41 (2014)


Article DOI: 10.1021/jm501134e
More data for this
Ligand-Target Pair