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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with Target = 'Arylamine N-acetyltransferase 1'   
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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PubMed
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 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 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 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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PubMed
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)
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)
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 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 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 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 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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PubMed
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 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 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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PubMed
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 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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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 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
Arylamine N-acetyltransferase 1


(Homo sapiens)
BDBM50274888
PNG
((Z)-5-(4'-Biphenylmethylene)-2-thioxothiazolidin-4...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H11NOS2/c18-15-14(20-16(19)17-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H,17,18,19)
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PubMed
n/an/a 8.10E+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)
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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PubMed
n/an/a 8.40E+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)
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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PubMed
n/an/a 9.60E+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 1


(Homo sapiens)
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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PubMed
n/an/a 1.00E+4n/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)
BDBM50014932
PNG
(CHEMBL3262073)
Show SMILES O=Cc1cccc(c1)C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H15NO4/c26-14-15-7-6-10-17(13-15)20-21(25-24(29)16-8-2-1-3-9-16)23(28)19-12-5-4-11-18(19)22(20)27/h1-14H,(H,25,29)
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n/an/a 1.00E+4n/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)
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 1.03E+4n/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)
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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PubMed
n/an/a 1.21E+4n/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)
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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PubMed
n/an/a 1.21E+4n/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)
BDBM50241154
PNG
((Z)-5-(4'-Fluorobenzylidene)-2-thioxothiazolidin-4...)
Show SMILES Fc1ccc(C=C2SC(S)=NC2=O)cc1
Show InChI InChI=1S/C10H6FNOS2/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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PubMed
n/an/a 1.29E+4n/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)
BDBM50092271
PNG
((Z)-5-Benzylidene-2-thioxothiazolidin-4-one | (Z)-...)
Show SMILES SC1=NC(=O)C(S1)=Cc1ccccc1
Show InChI InChI=1S/C10H7NOS2/c12-9-8(14-10(13)11-9)6-7-4-2-1-3-5-7/h1-6H,(H,11,12,13)
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PubMed
n/an/a 1.30E+4n/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)
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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PubMed
n/an/a 1.45E+4n/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)
BDBM50247599
PNG
((Z)-5-(4'-Hydroxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES Oc1ccc(C=C2SC(S)=NC2=O)cc1
Show InChI InChI=1S/C10H7NO2S2/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)
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PubMed
n/an/a 1.69E+4n/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)
BDBM50274855
PNG
((Z)-5-(3'-Methylbenzylidene)-2-thioxothiazolidin-4...)
Show SMILES Cc1cccc(C=C2SC(S)=NC2=O)c1
Show InChI InChI=1S/C11H9NOS2/c1-7-3-2-4-8(5-7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)
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PubMed
n/an/a 1.70E+4n/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)
BDBM50274854
PNG
((Z)-5-(2'-Methoxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES COc1ccccc1C=C1SC(S)=NC1=O
Show InChI InChI=1S/C11H9NO2S2/c1-14-8-5-3-2-4-7(8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)
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PubMed
n/an/a 1.76E+4n/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)
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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PubMed
n/an/a 1.90E+4n/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)
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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PubMed
n/an/a 1.93E+4n/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)
BDBM50014934
PNG
(CHEMBL3262075)
Show SMILES O=Cc1cccc(c1)C1=C(NC(=O)Cc2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C25H17NO4/c27-15-17-9-6-10-18(13-17)22-23(26-21(28)14-16-7-2-1-3-8-16)25(30)20-12-5-4-11-19(20)24(22)29/h1-13,15H,14H2,(H,26,28)
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PubMed
n/an/a 2.21E+4n/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)
BDBM50241156
PNG
((Z)-5-(4'-Methylbenzylidene)-2-thioxothiazolidin-4...)
Show SMILES Cc1ccc(C=C2SC(S)=NC2=O)cc1
Show InChI InChI=1S/C11H9NOS2/c1-7-2-4-8(5-3-7)6-9-10(13)12-11(14)15-9/h2-6H,1H3,(H,12,13,14)
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PubMed
n/an/a>3.00E+4n/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)
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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PubMed
n/an/a>3.00E+4n/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)
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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PubMed
n/an/a>3.00E+4n/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)
BDBM50014941
PNG
(CHEMBL3262081)
Show SMILES [O-][N+](=O)c1cccc2C(=O)C(Nc3ccccc3)=C(NS(=O)(=O)c3ccccc3)C(=O)c12
Show InChI InChI=1S/C22H15N3O6S/c26-21-16-12-7-13-17(25(28)29)18(16)22(27)20(19(21)23-14-8-3-1-4-9-14)24-32(30,31)15-10-5-2-6-11-15/h1-13,23-24H
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PubMed
n/an/a>3.00E+4n/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)
BDBM50014940
PNG
(CHEMBL3262080)
Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3c(cccc3[N+]([O-])=O)C2=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)24(29)20-18(23(21)28)9-6-10-19(20)27(30)31/h3-13,25-26H,1-2H3
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PubMed
n/an/a>3.00E+4n/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)
BDBM50241489
PNG
((Z)-5-(3'-Methoxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES COc1cccc(C=C2SC(S)=NC2=O)c1
Show InChI InChI=1S/C11H9NO2S2/c1-14-8-4-2-3-7(5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)
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PubMed
n/an/a>3.00E+4n/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)
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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Article
PubMed
n/an/a>3.00E+4n/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)
BDBM50241157
PNG
((Z)-5-(4'-Methoxybenzylidene)-2-thioxothiazolidin-...)
Show SMILES COc1ccc(C=C2SC(S)=NC2=O)cc1
Show InChI InChI=1S/C11H9NO2S2/c1-14-8-4-2-7(3-5-8)6-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)
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Article
PubMed
n/an/a>3.00E+4n/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)
BDBM50014939
PNG
(CHEMBL3262078)
Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H19N3O6S/c1-14-10-15(2)12-16(11-14)25-21-22(26-34(32,33)18-6-4-3-5-7-18)23(28)19-9-8-17(27(30)31)13-20(19)24(21)29/h3-13,25-26H,1-2H3
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Article
PubMed
n/an/a>3.00E+4n/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