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BDBM183452 US10214477, Example 51::US9670136, 51 6-amino-N-(4-((trans)-2-((4-aminocyclohexyl)amino)cyclopropyl)-[1,1′-biphenyl]-3-yl)pyridine-3-sulfonamide

SMILES: NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1

InChI Key: InChIKey=PWPKPNWKBRXCMZ-TXFBUAMLSA-N

Data: 6 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 = 183452   
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))
BDBM183452
PNG
(US10214477, Example 51 | US9670136, 51 6-amino-N-(...)
Show SMILES NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
Show InChI InChI=1S/C26H31N5O2S/c27-20-8-10-21(11-9-20)30-25-15-24(25)18-6-4-17(5-7-18)19-2-1-3-22(14-19)31-34(32,33)23-12-13-26(28)29-16-23/h1-7,12-14,16,20-21,24-25,30-31H,8-11,15,27H2,(H2,28,29)/t20?,21?,24-,25?/m1/s1
PDB

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



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of MAO (0.25 μg for MAO-A and 0.5 μg for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM183452
PNG
(US10214477, Example 51 | US9670136, 51 6-amino-N-(...)
Show SMILES NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
Show InChI InChI=1S/C26H31N5O2S/c27-20-8-10-21(11-9-20)30-25-15-24(25)18-6-4-17(5-7-18)19-2-1-3-22(14-19)31-34(32,33)23-12-13-26(28)29-16-23/h1-7,12-14,16,20-21,24-25,30-31H,8-11,15,27H2,(H2,28,29)/t20?,21?,24-,25?/m1/s1
PDB

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



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of MAO (0.25 μg for MAO-A and 0.5 μg for MAO-B) was incubated on ice for 15 minutes in the reaction buffer, in the ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM183452
PNG
(US10214477, Example 51 | US9670136, 51 6-amino-N-(...)
Show SMILES NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
Show InChI InChI=1S/C26H31N5O2S/c27-20-8-10-21(11-9-20)30-25-15-24(25)18-6-4-17(5-7-18)19-2-1-3-22(14-19)31-34(32,33)23-12-13-26(28)29-16-23/h1-7,12-14,16,20-21,24-25,30-31H,8-11,15,27H2,(H2,28,29)/t20?,21?,24-,25?/m1/s1
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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 at least eight 3-fold serial dilutions ...


US Patent US10214477 (2019)


BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM183452
PNG
(US10214477, Example 51 | US9670136, 51 6-amino-N-(...)
Show SMILES NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
Show InChI InChI=1S/C26H31N5O2S/c27-20-8-10-21(11-9-20)30-25-15-24(25)18-6-4-17(5-7-18)19-2-1-3-22(14-19)31-34(32,33)23-12-13-26(28)29-16-23/h1-7,12-14,16,20-21,24-25,30-31H,8-11,15,27H2,(H2,28,29)/t20?,21?,24-,25?/m1/s1
PDB

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US Patent
n/an/a 8.78E+6n/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 at least eight 3-fold serial dilutions ...


US Patent US10214477 (2019)


BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM183452
PNG
(US10214477, Example 51 | US9670136, 51 6-amino-N-(...)
Show SMILES NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
Show InChI InChI=1S/C26H31N5O2S/c27-20-8-10-21(11-9-20)30-25-15-24(25)18-6-4-17(5-7-18)19-2-1-3-22(14-19)31-34(32,33)23-12-13-26(28)29-16-23/h1-7,12-14,16,20-21,24-25,30-31H,8-11,15,27H2,(H2,28,29)/t20?,21?,24-,25?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.78E+6n/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 at least eight 3-fold serial dilutions ...


US Patent US10214477 (2019)


BindingDB Entry DOI: 10.7270/Q2ZS2ZTB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM183452
PNG
(US10214477, Example 51 | US9670136, 51 6-amino-N-(...)
Show SMILES NC1CCC(CC1)NC1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccc(N)nc2)c1 |r,wU:10.12,(12.11,3.85,;10.77,3.08,;10.77,1.54,;9.44,.77,;8.11,1.54,;8.11,3.08,;9.44,3.85,;6.77,.77,;5.44,1.54,;4.67,2.87,;3.9,1.54,;2.56,.77,;2.56,-.77,;1.23,-1.54,;-.1,-.77,;-.1,.77,;1.23,1.54,;-1.44,-1.54,;-1.44,-3.08,;-2.77,-3.85,;-4.1,-3.08,;-4.1,-1.54,;-5.44,-.77,;-6.77,-1.54,;-7.54,-2.87,;-6,-2.87,;-8.11,-.77,;-8.11,.77,;-9.44,1.54,;-10.77,.77,;-12.11,1.54,;-10.77,-.77,;-9.44,-1.54,;-2.77,-.77,)|
Show InChI InChI=1S/C26H31N5O2S/c27-20-8-10-21(11-9-20)30-25-15-24(25)18-6-4-17(5-7-18)19-2-1-3-22(14-19)31-34(32,33)23-12-13-26(28)29-16-23/h1-7,12-14,16,20-21,24-25,30-31H,8-11,15,27H2,(H2,28,29)/t20?,21?,24-,25?/m1/s1
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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 at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair