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Found 124 hits Enz. Inhib. hit(s) with Target = 'Arylamine N-acetyltransferase'   
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 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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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-
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MMDB

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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


Citation and Details
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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair
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