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SMILES: CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1

InChI Key: InChIKey=FDPCPAZFWYCATQ-YBEGLDIGSA-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 8 hits for monomerid = 454346   
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
Oxidized low-density lipoprotein receptor 1


(Bovine)
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+5n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
LOX and LOXL2: Lysyl oxidase (LOX) is an extracellular copper dependent enzyme which oxidizes peptidyl lysine and hydroxylysine residues in collagen ...


US Patent US10717734 (2020)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<3.00E+5n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
LOX and LOXL2: Lysyl oxidase (LOX) is an extracellular copper dependent enzyme which oxidizes peptidyl lysine and hydroxylysine residues in collagen ...


US Patent US10717734 (2020)

More data for this
Ligand-Target Pair
Oxidized low-density lipoprotein receptor 1


(Bovine)
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+5n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
LOX and LOXL2: Lysyl oxidase (LOX) is an extracellular copper dependent enzyme which oxidizes peptidyl lysine and hydroxylysine residues in collagen ...


US Patent US10717734 (2020)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)

More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
MAO-B: The specificity of the compounds of this invention was tested by determining their ability to inhibit MAO-B activities in vitro. Recombinant h...


US Patent US10717734 (2020)

More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>3.00E+3n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
SSAO/VAP-1: Human recombinant SSAO/VAP-1 amine oxidase activity was determined using the coupled colorimetric method as described for monoamine oxida...


US Patent US10717734 (2020)

More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM454346
PNG
(US10717734, Compound 22 | US10717734, Compound 23)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(F)nc23)cc1
Show InChI InChI=1S/C21H24F2N4O2S/c1-14-18(12-15-4-6-17(7-5-15)30(28,29)26(2)3)21-19(8-9-20(23)25-21)27(14)13-16(22)10-11-24/h4-10H,11-13,24H2,1-3H3/b16-10-
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<3.00E+5n/an/an/an/an/an/a



Pharmaxis Ltd.

US Patent


Assay Description
LOX and LOXL2: Lysyl oxidase (LOX) is an extracellular copper dependent enzyme which oxidizes peptidyl lysine and hydroxylysine residues in collagen ...


US Patent US10717734 (2020)

More data for this
Ligand-Target Pair