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BDBM50158875 CHEMBL3787372::US9676701, 69 N-(4′-((trans)-2-aminocyclopropyl)biphenyl-3-yl)propane-2-sulfonamide hydrochloride

SMILES: CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N

InChI Key: InChIKey=UNMUJLUQVFHXSH-MSOLQXFVSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50158875   
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))
BDBM50158875
PNG
(CHEMBL3787372 | US9676701, 69 N-(4′-((trans)...)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-16-5-3-4-15(10-16)13-6-8-14(9-7-13)17-11-18(17)19/h3-10,12,17-18,20H,11,19H2,1-2H3/t17-,18+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem

Similars

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



ORYZON GENOMICS, S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50158875
PNG
(CHEMBL3787372 | US9676701, 69 N-(4′-((trans)...)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-16-5-3-4-15(10-16)13-6-8-14(9-7-13)17-11-18(17)19/h3-10,12,17-18,20H,11,19H2,1-2H3/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

>1.00E+3n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50158875
PNG
(CHEMBL3787372 | US9676701, 69 N-(4′-((trans)...)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-16-5-3-4-15(10-16)13-6-8-14(9-7-13)17-11-18(17)19/h3-10,12,17-18,20H,11,19H2,1-2H3/t17-,18+/m1/s1
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

Similars

>1.00E+3n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50158875
PNG
(CHEMBL3787372 | US9676701, 69 N-(4′-((trans)...)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-16-5-3-4-15(10-16)13-6-8-14(9-7-13)17-11-18(17)19/h3-10,12,17-18,20H,11,19H2,1-2H3/t17-,18+/m1/s1
UniProtKB/SwissProt

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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using 3-(2-Aminophenyl)-3-oxopropanamine as substrate preincubated for 15 mins followed by substrate addition m...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158875
PNG
(CHEMBL3787372 | US9676701, 69 N-(4′-((trans)...)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-16-5-3-4-15(10-16)13-6-8-14(9-7-13)17-11-18(17)19/h3-10,12,17-18,20H,11,19H2,1-2H3/t17-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged KDM1A expressed in Escherichia coli using H3K4me2 as substrate preincubated for 15 mins followe...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50158875
PNG
(CHEMBL3787372 | US9676701, 69 N-(4′-((trans)...)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-16-5-3-4-15(10-16)13-6-8-14(9-7-13)17-11-18(17)19/h3-10,12,17-18,20H,11,19H2,1-2H3/t17-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using 3-(2-Aminophenyl)-3-oxopropanamine as substrate preincubated for 15 mins followed by substrate addition m...


J Med Chem 59: 1308-29 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01758
BindingDB Entry DOI: 10.7270/Q2MP5559
More data for this
Ligand-Target Pair