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BDBM151611 SP-2509::US8987335, 12::US9555024, 12

SMILES: C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O

InChI Key: InChIKey=NKUDGJUBIVEDTF-FYJGNVAPSA-N

Data: 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 7 hits for monomerid = 151611   
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))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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US Patent
n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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US Patent
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
Inhibition of monoamine oxidase activity was carried used using the MAO-Glo.TM. Assay Kit according to the manufacturer's suggested protocol. Bri...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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US Patent
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
Inhibition of monoamine oxidase activity was carried used using the MAO-Glo.TM. Assay Kit according to the manufacturer's suggested protocol. Bri...


US Patent US8987335 (2015)


BindingDB Entry DOI: 10.7270/Q2GQ6WGH
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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US Patent
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
Inhibition of monoamine oxidase activity was carried used using the MAO-GIo Assay Kit according to the manufacturer's suggested protocol. Briefly...


US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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US Patent
n/an/a 13n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the LSD1 Inhibitor Screening Assay Kit (Cayman Chemical Company, Ann Arbor, Mich.; Cayman Chem...


US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

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US Patent
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
Inhibition of monoamine oxidase activity was carried used using the MAO-GIo Assay Kit according to the manufacturer's suggested protocol. Briefly...


US Patent US9555024 (2017)


BindingDB Entry DOI: 10.7270/Q21R6SH1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM151611
PNG
(SP-2509 | US8987335, 12 | US9555024, 12)
Show SMILES C\C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C19H20ClN3O5S/c1-13(17-12-15(20)5-6-18(17)24)21-22-19(25)14-3-2-4-16(11-14)29(26,27)23-7-9-28-10-8-23/h2-6,11-12,24H,7-10H2,1H3,(H,22,25)/b21-13+
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Article
PubMed
n/an/a 11n/an/an/an/a7.525



China Pharmaceutical University



Assay Description
The LSD1 screening biochemical assay was performed by Shanghai ChemPartner Co. Ltd and the detailed protocol was shown as followed. The AlphaLISA ass...


Bioorg Chem 72: 182-189 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.006
BindingDB Entry DOI: 10.7270/Q2PC3179
More data for this
Ligand-Target Pair