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SMILES: Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1

InChI Key: InChIKey=NTYPTMOHHKHCRO-CVEARBPZSA-N

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 = 50464698   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50464698
PNG
(CHEMBL4289408)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 206n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MAO-A (unknown origin) using beetle luciferin derived luminogenic substrate preincubated for 15 mins followed by substrate addition mea...


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))
BDBM50464698
PNG
(CHEMBL4289408)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50464698
PNG
(CHEMBL4289408)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin) using beetle luciferin derived luminogenic substrate preincubated for 15 mins followed by substrate addition mea...


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))
BDBM50464698
PNG
(CHEMBL4289408)
Show SMILES Clc1ccc(CN[C@H]2C[C@@H]2c2ccccc2)cc1 |r|
Show InChI InChI=1S/C16H16ClN/c17-14-8-6-12(7-9-14)11-18-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16,18H,10-11H2/t15-,16+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



University of Freiburg

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged LSD1 (2 to 852 residues) (unknown origin) expressed in baculovirus infected sf9 cells preincubated for 15 mins followed by H...


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