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BDBM50427772 CHEMBL2325183

SMILES: O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1

InChI Key: InChIKey=PKHSKYFMULMNOC-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50427772   
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
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50427772
PNG
(CHEMBL2325183)
Show SMILES O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1
Show InChI InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)
PDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using histone H4 (1 to 24) as substrate after 1 hr by scintillation proximity assay in presence of [3H]-S-adenos...


J Med Chem 56: 2110-24 (2013)


Article DOI: 10.1021/jm3018332
BindingDB Entry DOI: 10.7270/Q2W95BHJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein G9a (G9a)


(Homo sapiens (Human))
BDBM50427772
PNG
(CHEMBL2325183)
Show SMILES O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1
Show InChI InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of G9a (unknown origin) using histone H3 (1 to 25) as substrate after 0.25 hrs by scintillation proximity assay in presence of [3H]-S-aden...


J Med Chem 56: 2110-24 (2013)


Article DOI: 10.1021/jm3018332
BindingDB Entry DOI: 10.7270/Q2W95BHJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM50427772
PNG
(CHEMBL2325183)
Show SMILES O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1
Show InChI InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of GLP (unknown origin) using histone H3 (1 to 25) as substrate after 0.25 hrs by scintillation proximity assay in presence of [3H]-S-aden...


J Med Chem 56: 2110-24 (2013)


Article DOI: 10.1021/jm3018332
BindingDB Entry DOI: 10.7270/Q2W95BHJ
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase SUV39H2 (Suv39H2)


(Homo sapiens (Human))
BDBM50427772
PNG
(CHEMBL2325183)
Show SMILES O=C(NCC(=O)c1ccccc1)Nc1ccc2nnsc2c1
Show InChI InChI=1S/C15H12N4O2S/c20-13(10-4-2-1-3-5-10)9-16-15(21)17-11-6-7-12-14(8-11)22-19-18-12/h1-8H,9H2,(H2,16,17,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of SUV39H2 (unknown origin) using histone H3 (1 to 25) as substrate after 0.25 hrs by scintillation proximity assay in presence of [3H]-S-...


J Med Chem 56: 2110-24 (2013)


Article DOI: 10.1021/jm3018332
BindingDB Entry DOI: 10.7270/Q2W95BHJ
More data for this
Ligand-Target Pair