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BDBM50155773 CHEMBL3781751::US9469597, 5

SMILES: [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1

InChI Key: InChIKey=ALHBJBCQLJZYON-ZQDZILKHSA-N

Data: 3 KI  7 IC50

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 10 hits for monomerid = 50155773   
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
GST-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

50n/an/an/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

>4.00E+4n/an/an/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent


Assay Description
In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening ass...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

>4.00E+4n/an/an/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent


Assay Description
In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening ass...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
REST corepressor 1


(Homo sapiens)
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDM1A/CoREST expressed in Escherichia coli using mono-methylated H3-K4 peptide as substrate assessed as H2O2 release ...


J Med Chem 59: 1501-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.84E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay


J Med Chem 59: 1501-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in Pichia pastoris preincubated for 15 mins measured after 30 mins by bioluminescent-coupled assay


J Med Chem 59: 1501-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 15n/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1B


(Homo sapiens)
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.35E+4n/an/an/an/an/an/a



European Institute of Oncology

Curated by ChEMBL


Assay Description
Inhibition of KDM1B (unknown origin)


J Med Chem 59: 1501-17 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01209
BindingDB Entry DOI: 10.7270/Q2086767
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a>1.00E+5n/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent


Assay Description
In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening ass...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES N[C@H]1CC[C@@H](CC1)N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12-,13-,14-,15+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a>1.00E+5n/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent


Assay Description
In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening ass...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair