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SMILES: Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(F)(F)F

InChI Key: InChIKey=CDUNOPMZBFLOLR-AUWJEWJLSA-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 = 454355   
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)
BDBM454355
PNG
(US10717734, Compound 31)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(F)(F)F
Show InChI InChI=1S/C20H20F4N4O2S/c1-12-15(9-13-3-6-18(26-10-13)31(2,29)30)19-16(28(12)11-14(21)7-8-25)4-5-17(27-19)20(22,23)24/h3-7,10H,8-9,11,25H2,1-2H3/b14-7-
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))
BDBM454355
PNG
(US10717734, Compound 31)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(F)(F)F
Show InChI InChI=1S/C20H20F4N4O2S/c1-12-15(9-13-3-6-18(26-10-13)31(2,29)30)19-16(28(12)11-14(21)7-8-25)4-5-17(27-19)20(22,23)24/h3-7,10H,8-9,11,25H2,1-2H3/b14-7-
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))
BDBM454355
PNG
(US10717734, Compound 31)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(F)(F)F
Show InChI InChI=1S/C20H20F4N4O2S/c1-12-15(9-13-3-6-18(26-10-13)31(2,29)30)19-16(28(12)11-14(21)7-8-25)4-5-17(27-19)20(22,23)24/h3-7,10H,8-9,11,25H2,1-2H3/b14-7-
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))
BDBM454355
PNG
(US10717734, Compound 31)
Show SMILES Cc1c(Cc2ccc(nc2)S(C)(=O)=O)c2nc(ccc2n1C\C(F)=C\CN)C(F)(F)F
Show InChI InChI=1S/C20H20F4N4O2S/c1-12-15(9-13-3-6-18(26-10-13)31(2,29)30)19-16(28(12)11-14(21)7-8-25)4-5-17(27-19)20(22,23)24/h3-7,10H,8-9,11,25H2,1-2H3/b14-7-
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