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BDBM50445351 NAMOLINE

SMILES: [O-][N+](=O)c1ccc2oc(c(Cl)c(=O)c2c1)C(F)(F)F

InChI Key: InChIKey=DYEGRZKBJMKSKD-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50445351   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445351
PNG
(NAMOLINE)
Show SMILES [O-][N+](=O)c1ccc2oc(c(Cl)c(=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C10H3ClF3NO4/c11-7-8(16)5-3-4(15(17)18)1-2-6(5)19-9(7)10(12,13)14/h1-3H
PDB
MMDB

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MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) using H3K4me2 substrate assessed as reduction in H2O2 production by fluorescence a...


J Med Chem 59: 4121-51 (2016)


BindingDB Entry DOI: 10.7270/Q2XD13MT
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445351
PNG
(NAMOLINE)
Show SMILES [O-][N+](=O)c1ccc2oc(c(Cl)c(=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C10H3ClF3NO4/c11-7-8(16)5-3-4(15(17)18)1-2-6(5)19-9(7)10(12,13)14/h1-3H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of LSD1 (unknown origin)


Eur J Med Chem 144: 52-67 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.001
BindingDB Entry DOI: 10.7270/Q20V8GGB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445351
PNG
(NAMOLINE)
Show SMILES [O-][N+](=O)c1ccc2oc(c(Cl)c(=O)c2c1)C(F)(F)F
Show InChI InChI=1S/C10H3ClF3NO4/c11-7-8(16)5-3-4(15(17)18)1-2-6(5)19-9(7)10(12,13)14/h1-3H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.10E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant LSD1 (2 to 852) (unknown origin) using H3K4me2 as substrate by fluorescence assay


J Med Chem 56: 9496-508 (2014)


Article DOI: 10.1021/jm400870h
BindingDB Entry DOI: 10.7270/Q2Z60QJ7
More data for this
Ligand-Target Pair