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BDBM50427768 CHEMBL2325441

SMILES: O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1

InChI Key: InChIKey=GGXCUZHEJUJACD-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

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 = 50427768   
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))
BDBM50427768
PNG
(CHEMBL2325441)
Show SMILES O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 |t:5|
Show InChI InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)
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Article
PubMed
n/an/an/a 9.50E+3n/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Binding affinity to 6xHis-tagged recombinant human PRMT3 by surface plasmon resonance analysis


J Med Chem 58: 1596-629 (2015)


Article DOI: 10.1021/jm501234a
BindingDB Entry DOI: 10.7270/Q28K7BS2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50427768
PNG
(CHEMBL2325441)
Show SMILES O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 |t:5|
Show InChI InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)
UniProtKB/SwissProt

antibodypedia
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n/an/a 2.50E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL




J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
More data for this
Ligand-Target Pair
Protein arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50427768
PNG
(CHEMBL2325441)
Show SMILES O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 |t:5|
Show InChI InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)
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n/an/a 2.40E+3n/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 arginine methyltransferase 3 (PRMT3)


(Homo sapiens (Human))
BDBM50427768
PNG
(CHEMBL2325441)
Show SMILES O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 |t:5|
Show InChI InChI=1S/C15H18N4OS/c20-15(16-9-8-11-4-2-1-3-5-11)17-12-6-7-13-14(10-12)21-19-18-13/h4,6-7,10H,1-3,5,8-9H2,(H2,16,17,20)
PDB

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CHEMBL
MMDB
PC cid
PC sid
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PRMT3 (211 to 531) using histone-4 (1 to 24) as substrate by S-adenosylhomocysteine hydrolase-coupled assay


J Med Chem 58: 1596-629 (2015)


Article DOI: 10.1021/jm501234a
BindingDB Entry DOI: 10.7270/Q28K7BS2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)