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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with Target = 'Arylamine N-acetyltransferase 2'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014986
PNG
(CHEMBL3262086)
Show SMILES Nc1cccc2C(=O)C(Nc3ccccc3)=C(NS(=O)(=O)c3ccccc3)C(=O)c12
Show InChI InChI=1S/C22H17N3O4S/c23-17-13-7-12-16-18(17)22(27)20(25-30(28,29)15-10-5-2-6-11-15)19(21(16)26)24-14-8-3-1-4-9-14/h1-13,24-25H,23H2
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n/an/a 270n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50274859
PNG
((Z)-3-Amino-5-(biphenyl-2'-ylmethylene)-2-thioxoth...)
Show SMILES NN1C(=S)S\C(=C/c2ccccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C16H12N2OS2/c17-18-15(19)14(21-16(18)20)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,17H2/b14-10-
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n/an/a 300n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014944
PNG
(CHEMBL3262085)
Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3c(N)cccc3C2=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-14-11-15(2)13-16(12-14)26-21-22(27-32(30,31)17-7-4-3-5-8-17)24(29)20-18(23(21)28)9-6-10-19(20)25/h3-13,26-27H,25H2,1-2H3
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n/an/a 430n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275028
PNG
((Z)-5-(4'-Methoxybenzylidene)-3-methyl-2-thioxothi...)
Show SMILES COc1ccc(\C=C2/SC(=S)N(C)C2=O)cc1
Show InChI InChI=1S/C12H11NO2S2/c1-13-11(14)10(17-12(13)16)7-8-3-5-9(15-2)6-4-8/h3-7H,1-2H3/b10-7-
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014924
PNG
(CHEMBL3262055)
Show SMILES Brc1ccc(OC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C22H14BrNO5S/c23-14-10-12-15(13-11-14)29-22-19(24-30(27,28)16-6-2-1-3-7-16)20(25)17-8-4-5-9-18(17)21(22)26/h1-13,24H
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275069
PNG
((Z)-5-Hexylidene-2-thioxothiazolidin-4-one | CHEMB...)
Show SMILES CCCCC=Cc1sc(S)nc1O
Show InChI InChI=1S/C9H13NOS2/c1-2-3-4-5-6-7-8(11)10-9(12)13-7/h5-6,11H,2-4H2,1H3,(H,10,12)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014931
PNG
(CHEMBL3262062)
Show SMILES O=C1C(NS(=O)(=O)c2ccccc2)=C(c2ccoc2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H13NO5S/c22-19-15-8-4-5-9-16(15)20(23)18(17(19)13-10-11-26-12-13)21-27(24,25)14-6-2-1-3-7-14/h1-12,21H
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014914
PNG
(CHEMBL3262049)
Show SMILES Brc1ccc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C22H15BrN2O4S/c23-14-10-12-15(13-11-14)24-19-20(25-30(28,29)16-6-2-1-3-7-16)22(27)18-9-5-4-8-17(18)21(19)26/h1-13,24-25H
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014922
PNG
(CHEMBL3262053)
Show SMILES O=C1C(NS(=O)(=O)c2ccccc2)=C(Oc2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H15NO5S/c24-20-17-13-7-8-14-18(17)21(25)22(28-15-9-3-1-4-10-15)19(20)23-29(26,27)16-11-5-2-6-12-16/h1-14,23H
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014912
PNG
(CHEMBL1568345)
Show SMILES O=C1C(Nc2ccccc2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C22H16N2O4S/c25-21-17-13-7-8-14-18(17)22(26)20(19(21)23-15-9-3-1-4-10-15)24-29(27,28)16-11-5-2-6-12-16/h1-14,23-24H
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014913
PNG
(CHEMBL3262048)
Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C24H20N2O4S/c1-15-12-16(2)14-17(13-15)25-21-22(26-31(29,30)18-8-4-3-5-9-18)24(28)20-11-7-6-10-19(20)23(21)27/h3-14,25-26H,1-2H3
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014943
PNG
(CHEMBL3262084)
Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3cc(N)ccc3C2=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-14-10-15(2)12-17(11-14)26-21-22(27-32(30,31)18-6-4-3-5-7-18)24(29)20-13-16(25)8-9-19(20)23(21)28/h3-13,26-27H,25H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014938
PNG
(CHEMBL3262077)
Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3cccc(c3C2=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H19N3O6S/c1-14-11-15(2)13-16(12-14)25-21-22(26-34(32,33)17-7-4-3-5-8-17)23(28)18-9-6-10-19(27(30)31)20(18)24(21)29/h3-13,25-26H,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014925
PNG
(CHEMBL3262056)
Show SMILES Clc1ccccc1C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H14ClNO4S/c23-18-13-7-6-12-17(18)19-20(24-29(27,28)14-8-2-1-3-9-14)22(26)16-11-5-4-10-15(16)21(19)25/h1-13,24H
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014930
PNG
(CHEMBL3262061)
Show SMILES O=C1C(NS(=O)(=O)c2ccccc2)=C(c2ccco2)C(=O)c2ccccc12
Show InChI InChI=1S/C20H13NO5S/c22-19-14-9-4-5-10-15(14)20(23)18(17(19)16-11-6-12-26-16)21-27(24,25)13-7-2-1-3-8-13/h1-12,21H
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275064
PNG
((Z)-3-Methyl-5-(2'-methylbenzylidene)-2-thioxothia...)
Show SMILES CN1C(=S)S\C(=C/c2ccccc2C)C1=O
Show InChI InChI=1S/C12H11NOS2/c1-8-5-3-4-6-9(8)7-10-11(14)13(2)12(15)16-10/h3-7H,1-2H3/b10-7-
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50274892
PNG
((Z)-3-Methyl-5-(naphthalen-2'-ylmethylene)-2-thiox...)
Show SMILES CN1C(=S)S\C(=C/c2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C15H11NOS2/c1-16-14(17)13(19-15(16)18)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-9H,1H3/b13-9-
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014926
PNG
(CHEMBL3262057)
Show SMILES Clc1cccc(c1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H14ClNO4S/c23-15-8-6-7-14(13-15)19-20(24-29(27,28)16-9-2-1-3-10-16)22(26)18-12-5-4-11-17(18)21(19)25/h1-13,24H
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275027
PNG
((Z)-3-Amino-5-(2'-hydroxybenzylidene)-2-thioxothia...)
Show SMILES NN1C(=S)S\C(=C/c2ccccc2O)C1=O
Show InChI InChI=1S/C10H8N2O2S2/c11-12-9(14)8(16-10(12)15)5-6-3-1-2-4-7(6)13/h1-5,13H,11H2/b8-5-
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014923
PNG
(CHEMBL3262054)
Show SMILES Cc1cc(C)cc(OC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C24H19NO5S/c1-15-12-16(2)14-17(13-15)30-24-21(25-31(28,29)18-8-4-3-5-9-18)22(26)19-10-6-7-11-20(19)23(24)27/h3-14,25H,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50274856
PNG
((Z)-5-(4'-Biphenylmethylene)-3-methyl-2-thioxothia...)
Show SMILES CN1C(=S)S\C(=C/c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C17H13NOS2/c1-18-16(19)15(21-17(18)20)11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3/b15-11-
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014942
PNG
(CHEMBL3262082)
Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3cccc(N)c3C2=O)c1
Show InChI InChI=1S/C24H21N3O4S/c1-14-11-15(2)13-16(12-14)26-21-22(27-32(30,31)17-7-4-3-5-8-17)23(28)18-9-6-10-19(25)20(18)24(21)29/h3-13,26-27H,25H2,1-2H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50181733
PNG
((Z)-3-Amino-5-(4'-chlorobenzylidene)-2-thioxothiaz...)
Show SMILES NN1C(=S)S\C(=C/c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C10H7ClN2OS2/c11-7-3-1-6(2-4-7)5-8-9(14)13(12)10(15)16-8/h1-5H,12H2/b8-5-
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275066
PNG
((Z)-5-(3'-Fluorobenzylidene)-2-thioxothiazolidin-4...)
Show SMILES Fc1cccc(C=C2SC(S)=NC2=O)c1
Show InChI InChI=1S/C10H6FNOS2/c11-7-3-1-2-6(4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275070
PNG
((Z)-5-Octylidene-2-thioxothiazolidin-4-one | CHEMB...)
Show SMILES CCCCCCC=Cc1sc(S)nc1O
Show InChI InChI=1S/C11H17NOS2/c1-2-3-4-5-6-7-8-9-10(13)12-11(14)15-9/h7-8,13H,2-6H2,1H3,(H,12,14)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014929
PNG
(CHEMBL3262060)
Show SMILES O=Cc1ccc(cc1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H15NO5S/c25-14-15-10-12-16(13-11-15)20-21(24-30(28,29)17-6-2-1-3-7-17)23(27)19-9-5-4-8-18(19)22(20)26/h1-14,24H
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275067
PNG
((Z)-5-(3'-Fluorobenzylidene)-3-methyl-2-thioxothia...)
Show SMILES CN1C(=S)S\C(=C/c2cccc(F)c2)C1=O
Show InChI InChI=1S/C11H8FNOS2/c1-13-10(14)9(16-11(13)15)6-7-3-2-4-8(12)5-7/h2-6H,1H3/b9-6-
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50274898
PNG
((Z)-5-Butylidene-2-thioxothiazolidin-4-one | CHEMB...)
Show SMILES CCC=Cc1sc(S)nc1O
Show InChI InChI=1S/C7H9NOS2/c1-2-3-4-5-6(9)8-7(10)11-5/h3-4,9H,2H2,1H3,(H,8,10)
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014927
PNG
(CHEMBL3262058)
Show SMILES Clc1ccc(cc1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H14ClNO4S/c23-15-12-10-14(11-13-15)19-20(24-29(27,28)16-6-2-1-3-7-16)22(26)18-9-5-4-8-17(18)21(19)25/h1-13,24H
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014928
PNG
(CHEMBL3262059)
Show SMILES O=Cc1cccc(c1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H15NO5S/c25-14-15-7-6-8-16(13-15)20-21(24-30(28,29)17-9-2-1-3-10-17)23(27)19-12-5-4-11-18(19)22(20)26/h1-14,24H
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n/an/a 9.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50181712
PNG
((Z)-5-(4'-Chlorobenzylidene)-3-methyl-2-thioxothia...)
Show SMILES CN1C(=S)S\C(=C/c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C11H8ClNOS2/c1-13-10(14)9(16-11(13)15)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6-
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n/an/a 9.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50274858
PNG
((Z)-5-(Biphenyl-2'-ylmethylene)-3-methyl-2-thioxot...)
Show SMILES CN1C(=S)S\C(=C/c2ccccc2-c2ccccc2)C1=O
Show InChI InChI=1S/C17H13NOS2/c1-18-16(19)15(21-17(18)20)11-13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-11H,1H3/b15-11-
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275025
PNG
((Z)-3-Amino-5-(4'-hydroxybenzylidene)-2-thioxothia...)
Show SMILES NN1C(=S)S\C(=C/c2ccc(O)cc2)C1=O
Show InChI InChI=1S/C10H8N2O2S2/c11-12-9(14)8(16-10(12)15)5-6-1-3-7(13)4-2-6/h1-5,13H,11H2/b8-5-
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275071
PNG
((Z)-5-Decylidene-2-thioxothiazolidin-4-one | CHEMB...)
Show SMILES CCCCCCCCC=Cc1sc(S)nc1O
Show InChI InChI=1S/C13H21NOS2/c1-2-3-4-5-6-7-8-9-10-11-12(15)14-13(16)17-11/h9-10,15H,2-8H2,1H3,(H,14,16)
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275068
PNG
((Z)-5-(2'-Fluorobenzylidene)-3-methyl-2-thioxothia...)
Show SMILES CN1C(=S)S\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C11H8FNOS2/c1-13-10(14)9(16-11(13)15)6-7-4-2-3-5-8(7)12/h2-6H,1H3/b9-6-
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PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275029
PNG
((Z)-5-(3'-Methoxybenzylidene)-3-methyl-2-thioxothi...)
Show SMILES COc1cccc(\C=C2/SC(=S)N(C)C2=O)c1
Show InChI InChI=1S/C12H11NO2S2/c1-13-11(14)10(17-12(13)16)7-8-4-3-5-9(6-8)15-2/h3-7H,1-2H3/b10-7-
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n/an/a 1.36E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275024
PNG
((Z)-5-(4'-Hydroxybenzylidene)-3-methyl-2-thioxothi...)
Show SMILES CN1C(=S)S\C(=C/c2ccc(O)cc2)C1=O
Show InChI InChI=1S/C11H9NO2S2/c1-12-10(14)9(16-11(12)15)6-7-2-4-8(13)5-3-7/h2-6,13H,1H3/b9-6-
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014933
PNG
(CHEMBL3262074)
Show SMILES O=C(NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C21H13NO4/c23-19-15-8-4-5-9-16(15)20(24)18(17(19)14-10-11-26-12-14)22-21(25)13-6-2-1-3-7-13/h1-12H,(H,22,25)
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50274857
PNG
((Z)-5-(Biphenyl-2'-ylmethylene)-2-thioxothiazolidi...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C16H11NOS2/c18-15-14(20-16(19)17-15)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-10H,(H,17,18,19)
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n/an/a 1.65E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275026
PNG
((Z)-5-(2'-Hydroxybenzylidene)-3-methyl-2-thioxothi...)
Show SMILES CN1C(=S)S\C(=C/c2ccccc2O)C1=O
Show InChI InChI=1S/C11H9NO2S2/c1-12-10(14)9(16-11(12)15)6-7-4-2-3-5-8(7)13/h2-6,13H,1H3/b9-6-
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275065
PNG
((Z)-5-(4'-Fluorobenzylidene)-3-methyl-2-thioxothia...)
Show SMILES CN1C(=S)S\C(=C/c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C11H8FNOS2/c1-13-10(14)9(16-11(13)15)6-7-2-4-8(12)5-3-7/h2-6H,1H3/b9-6-
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PubMed
n/an/a 2.07E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014937
PNG
(CHEMBL3262076)
Show SMILES O=C(Cc1ccccc1)NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H15NO4/c24-18(12-14-6-2-1-3-7-14)23-20-19(15-10-11-27-13-15)21(25)16-8-4-5-9-17(16)22(20)26/h1-11,13H,12H2,(H,23,24)
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n/an/a 2.35E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50274896
PNG
((Z)-5-(2'-Phenylethylidene)-2-thioxothiazolidin-4-...)
Show SMILES Oc1nc(S)sc1C=Cc1ccccc1
Show InChI InChI=1S/C11H9NOS2/c13-10-9(15-11(14)12-10)7-6-8-4-2-1-3-5-8/h1-7,13H,(H,12,14)
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n/an/a 2.42E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275072
PNG
((Z)-5-(1'-Phenylethylidene)-2-thioxothiazolidin-4-...)
Show SMILES Oc1nc(S)sc1C(=C)c1ccccc1
Show InChI InChI=1S/C11H9NOS2/c1-7(8-5-3-2-4-6-8)9-10(13)12-11(14)15-9/h2-6,13H,1H2,(H,12,14)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50274891
PNG
((Z)-5-(Naphthalen-2'-ylmethylene)-2-thioxothiazoli...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc2ccccc2c1
Show InChI InChI=1S/C14H9NOS2/c16-13-12(18-14(17)15-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H,(H,15,16,17)
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n/an/a 2.69E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014920
PNG
(CHEMBL3262051)
Show SMILES O=C1C(NC2CCCC2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H20N2O4S/c24-20-16-12-6-7-13-17(16)21(25)19(18(20)22-14-8-4-5-9-14)23-28(26,27)15-10-2-1-3-11-15/h1-3,6-7,10-14,22-23H,4-5,8-9H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014921
PNG
(CHEMBL3262052)
Show SMILES O=C1C(NCc2ccccc2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12
Show InChI InChI=1S/C23H18N2O4S/c26-22-18-13-7-8-14-19(18)23(27)21(20(22)24-15-16-9-3-1-4-10-16)25-30(28,29)17-11-5-2-6-12-17/h1-14,24-25H,15H2
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50014916
PNG
(CHEMBL3262050)
Show SMILES COCCNC1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H18N2O5S/c1-26-12-11-20-16-17(21-27(24,25)13-7-3-2-4-8-13)19(23)15-10-6-5-9-14(15)18(16)22/h2-10,20-21H,11-12H2,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His6-tagged mouse NAT2 expressed in Escherichia coli Rosetta(DE3)pLysS cells assessed as rate of free thiol coen...


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50241155
PNG
((Z)-5-(2'-Fluorobenzylidene)-2-thioxothiazolidin-4...)
Show SMILES Fc1ccccc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C10H6FNOS2/c11-7-4-2-1-3-6(7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 2


(Mus musculus)
BDBM50275063
PNG
((Z)-3-Methyl-5-(3'-methylbenzylidene)-2-thioxothia...)
Show SMILES CN1C(=S)S\C(=C/c2cccc(C)c2)C1=O
Show InChI InChI=1S/C12H11NOS2/c1-8-4-3-5-9(6-8)7-10-11(14)13(2)12(15)16-10/h3-7H,1-2H3/b10-7-
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant NAT2 assessed as hydrolysis of acetyl coA using PABA as substrate by Ellman's method


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
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