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Found 124 hits Enz. Inhib. hit(s) with Target = 'Arylamine N-acetyltransferase'   
Target/Host
(Institution)
LigandTarget/Host
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 1


(Homo sapiens)
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 120n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 1


(Homo sapiens)
BDBM50275074
PNG
((Z)-5-(3',5'-Diiodo-4'-hydroxybenzylidene)-2-thiox...)
Show SMILES Oc1c(I)cc(C=C2SC(S)=NC2=O)cc1I
Show InChI InChI=1S/C10H5I2NO2S2/c11-5-1-4(2-6(12)8(5)14)3-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)
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n/an/a 138n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of NAT1 in human ZR75 cell lysate assessed as acetylation of aryl amine using PABA as substrate


Bioorg Med Chem 17: 905-18 (2009)

More data for this
Ligand-Target Pair
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 1


(Homo sapiens)
BDBM50275074
PNG
((Z)-5-(3',5'-Diiodo-4'-hydroxybenzylidene)-2-thiox...)
Show SMILES Oc1c(I)cc(C=C2SC(S)=NC2=O)cc1I
Show InChI InChI=1S/C10H5I2NO2S2/c11-5-1-4(2-6(12)8(5)14)3-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)
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n/an/a 330n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAT1 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 1


(Homo sapiens)
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 540n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 1


(Homo sapiens)
BDBM50274853
PNG
((Z)-5-(3'-Hydroxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES Oc1cccc(C=C2SC(S)=NC2=O)c1
Show InChI InChI=1S/C10H7NO2S2/c12-7-3-1-2-6(4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)
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n/an/a 600n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAT1 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 1


(Homo sapiens)
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 900n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


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 1


(Homo sapiens)
BDBM50092273
PNG
((Z)-5-(2'-Hydroxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES Oc1ccccc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C10H7NO2S2/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)
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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 human recombinant NAT1 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 1


(Homo sapiens)
BDBM50274890
PNG
((Z)-3-Amino-5-(4'-hydroxy-3',5-diiodobenzylidene)-...)
Show SMILES NN1C(=S)S\C(=C/c2cc(I)c(O)c(I)c2)C1=O
Show InChI InChI=1S/C10H6I2N2O2S2/c11-5-1-4(2-6(12)8(5)15)3-7-9(16)14(13)10(17)18-7/h1-3,15H,13H2/b7-3-
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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 human recombinant NAT1 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 1


(Homo sapiens)
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 1.70E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


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 1


(Homo sapiens)
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 1.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


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 1


(Homo sapiens)
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 2.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


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 1


(Homo sapiens)
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 2.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 1


(Homo sapiens)
BDBM50274887
PNG
((Z)-5-(3',4'-Dichlorobenzylidene)-2-thioxothiazoli...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C10H5Cl2NOS2/c11-6-2-1-5(3-7(6)12)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAT1 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 1


(Homo sapiens)
BDBM50240730
PNG
((Z)-5-(4'-Hydroxy-3',5'-diiodobenzylidene)thiazoli...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(I)c(O)c(I)c1
Show InChI InChI=1S/C10H5I2NO3S/c11-5-1-4(2-6(12)8(5)14)3-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAT1 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)
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 1


(Homo sapiens)
BDBM50274886
PNG
((Z)-5-(2'-Methylbenzylidene)-2-thioxothiazolidin-4...)
Show SMILES Cc1ccccc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C11H9NOS2/c1-7-4-2-3-5-8(7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAT1 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 1


(Homo sapiens)
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 4.10E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 1


(Homo sapiens)
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 4.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


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 1


(Homo sapiens)
BDBM50181730
PNG
((Z)-5-(4'-Chlorobenzylidene)-2-thioxothiazolidin-4...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(Cl)cc1
Show InChI InChI=1S/C10H6ClNOS2/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-5H,(H,12,13,14)
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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 human recombinant NAT1 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)
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)
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 1


(Homo sapiens)
BDBM50014987
PNG
(CHEMBL3262087)
Show SMILES CN(C1=C(Nc2cc(C)cc(C)c2)C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C25H22N2O4S/c1-16-13-17(2)15-18(14-16)26-22-23(25(29)21-12-8-7-11-20(21)24(22)28)27(3)32(30,31)19-9-5-4-6-10-19/h4-15,26H,1-3H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
Arylamine N-acetyltransferase 1


(Homo sapiens)
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 6.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


Bioorg Med Chem 22: 3030-54 (2014)

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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PubMed
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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PubMed
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 1


(Homo sapiens)
BDBM50274889
PNG
((Z)-5-(4'-Hydroxy-3',5'-diiodobenzylidene)-3-methy...)
Show SMILES CN1C(=S)S\C(=C/c2cc(I)c(O)c(I)c2)C1=O
Show InChI InChI=1S/C11H7I2NO2S2/c1-14-10(16)8(18-11(14)17)4-5-2-6(12)9(15)7(13)3-5/h2-4,15H,1H3/b8-4-
PDB
MMDB

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PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant NAT1 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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PubMed
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 1


(Homo sapiens)
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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PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human NAT1 assessed as rate of free thiol coenzyme A production using arylamine and AcCoA as substrate by Ellman's method


Bioorg Med Chem 22: 3030-54 (2014)

More data for this
Ligand-Target Pair
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