BindingDB logo
myBDB logout

null

SMILES: O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1

InChI Key: InChIKey=MYTRGTBDVGKKRO-UHFFFAOYSA-N

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 3 hits for monomerid = 50427787   
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 N-methyltransferase 3 [N508S]


(Homo sapiens (Human))
BDBM50427787
PNG
(CHEMBL2325198)
Show SMILES O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1
Show InChI InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 230n/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
Bromodomain adjacent to zinc finger domain protein 1A


(Homo sapiens)
BDBM50427787
PNG
(CHEMBL2325198)
Show SMILES O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1
Show InChI InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

n/an/an/a 2.56E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Protein arginine N-methyltransferase 3


(Homo sapiens)
BDBM50427787
PNG
(CHEMBL2325198)
Show SMILES O=C(NCC(=O)N1CCCCC1)Nc1ccc2nnsc2c1
Show InChI InChI=1S/C14H17N5O2S/c20-13(19-6-2-1-3-7-19)9-15-14(21)16-10-4-5-11-12(8-10)22-18-17-11/h4-5,8H,1-3,6-7,9H2,(H2,15,16,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 134n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of PRMT3 (unknown origin) using C-terminally biotinylated histone H4 as substrate in presence of [3H]S-adenosylmethionine by scintillation...


J Med Chem 61: 1204-1217 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01674
BindingDB Entry DOI: 10.7270/Q24J0HK6
More data for this
Ligand-Target Pair