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SMILES: CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)cn1

InChI Key: InChIKey=PSGOGNKVMSGUBO-MFOYZWKCSA-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 4 hits for monomerid = 454340   
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)
BDBM454340
PNG
(US10717734, Compound 16)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)cn1
Show InChI InChI=1S/C21H26FN5O2S/c1-14-5-7-19-21(25-14)18(15(2)27(19)13-17(22)9-10-23)11-16-6-8-20(24-12-16)30(28,29)26(3)4/h5-9,12H,10-11,13,23H2,1-4H3/b17-9-
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)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM454340
PNG
(US10717734, Compound 16)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)cn1
Show InChI InChI=1S/C21H26FN5O2S/c1-14-5-7-19-21(25-14)18(15(2)27(19)13-17(22)9-10-23)11-16-6-8-20(24-12-16)30(28,29)26(3)4/h5-9,12H,10-11,13,23H2,1-4H3/b17-9-
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)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM454340
PNG
(US10717734, Compound 16)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)cn1
Show InChI InChI=1S/C21H26FN5O2S/c1-14-5-7-19-21(25-14)18(15(2)27(19)13-17(22)9-10-23)11-16-6-8-20(24-12-16)30(28,29)26(3)4/h5-9,12H,10-11,13,23H2,1-4H3/b17-9-
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)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM454340
PNG
(US10717734, Compound 16)
Show SMILES CN(C)S(=O)(=O)c1ccc(Cc2c(C)n(C\C(F)=C\CN)c3ccc(C)nc23)cn1
Show InChI InChI=1S/C21H26FN5O2S/c1-14-5-7-19-21(25-14)18(15(2)27(19)13-17(22)9-10-23)11-16-6-8-20(24-12-16)30(28,29)26(3)4/h5-9,12H,10-11,13,23H2,1-4H3/b17-9-
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)


BindingDB Entry DOI: 10.7270/Q25T3PHK
More data for this
Ligand-Target Pair