Compile Data Set for Download or QSAR

Found 49 hits of ic50 data for polymerid = 50002574   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014986 (CHEMBL3262086) Show SMILES Nc1cccc2C(=O)C(Nc3ccccc3)=C(NS(=O)(=O)c3ccccc3)C(=O)c12 |t:16| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50275074 ((Z)-5-(3',5'-Diiodo-4'-hydroxybenzylidene)-2-thiox...) Show SMILES Oc1c(I)cc(C=C2SC(S)=NC2=O)cc1I |w:6.5,c:10| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50275074 ((Z)-5-(3',5'-Diiodo-4'-hydroxybenzylidene)-2-thiox...) Show SMILES Oc1c(I)cc(C=C2SC(S)=NC2=O)cc1I |w:6.5,c:10| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014944 (CHEMBL3262085) Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3c(N)cccc3C2=O)c1 |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50274853 ((Z)-5-(3'-Hydroxybenzylidene)-2-thioxothiazolidin-...) Show SMILES Oc1cccc(C=C2SC(S)=NC2=O)c1 |w:6.5,c:10| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014914 (CHEMBL3262049) Show SMILES Brc1ccc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 |c:6| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50368688 (CHEMBL2047717) Show SMILES Oc1ccccc1\C=C1/SC(=O)NC1=O Show InChI InChI=1S/C10H7NO3S/c12-7-4-2-1-3-6(7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) arylamine N-acetyltransferase 1				Citation and Details Article DOI: 10.1007/s00044-012-0057-3 BindingDB Entry DOI: 10.7270/Q2X351BT
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50092273 ((Z)-5-(2'-Hydroxybenzylidene)-2-thioxothiazolidin-...) Show SMILES Oc1ccccc1C=C1SC(S)=NC1=O |w:7.7,c:12| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50274890 ((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-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014912 (CHEMBL1568345) Show SMILES O=C1C(Nc2ccccc2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:10| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014924 (CHEMBL3262055) Show SMILES Brc1ccc(OC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 |c:6| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014943 (CHEMBL3262084) Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3cc(N)ccc3C2=O)c1 |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014922 (CHEMBL3262053) Show SMILES O=C1C(NS(=O)(=O)c2ccccc2)=C(Oc2ccccc2)C(=O)c2ccccc12 |t:13| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50274887 ((Z)-5-(3',4'-Dichlorobenzylidene)-2-thioxothiazoli...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(Cl)c(Cl)c1 |w:7.8,t:1| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50240730 ((Z)-5-(4'-Hydroxy-3',5'-diiodobenzylidene)thiazoli...) Show SMILES OC1=NC(=O)C(S1)=Cc1cc(I)c(O)c(I)c1 |w:7.8,t:1| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50274886 ((Z)-5-(2'-Methylbenzylidene)-2-thioxothiazolidin-4...) Show SMILES Cc1ccccc1C=C1SC(S)=NC1=O |w:7.7,c:12| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014913 (CHEMBL3262048) Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014942 (CHEMBL3262082) Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3cccc(N)c3C2=O)c1 |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50181730 ((Z)-5-(4'-Chlorobenzylidene)-2-thioxothiazolidin-4...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(Cl)cc1 |w:7.8,t:1| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014987 (CHEMBL3262087) Show SMILES CN(C1=C(Nc2cc(C)cc(C)c2)C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccccc1 |c:2| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014938 (CHEMBL3262077) Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3cccc(c3C2=O)[N+]([O-])=O)c1 |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50274889 ((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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014925 (CHEMBL3262056) Show SMILES Clc1ccccc1C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50274888 ((Z)-5-(4'-Biphenylmethylene)-2-thioxothiazolidin-4...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccc(cc1)-c1ccccc1 |w:7.8,t:1| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014928 (CHEMBL3262059) Show SMILES O=Cc1cccc(c1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014930 (CHEMBL3262061) Show SMILES O=C1C(NS(=O)(=O)c2ccccc2)=C(c2ccco2)C(=O)c2ccccc12 |t:13| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014932 (CHEMBL3262073) Show SMILES O=Cc1cccc(c1)C1=C(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014931 (CHEMBL3262062) Show SMILES O=C1C(NS(=O)(=O)c2ccccc2)=C(c2ccoc2)C(=O)c2ccccc12 |t:13| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014929 (CHEMBL3262060) Show SMILES O=Cc1ccc(cc1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:9| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014923 (CHEMBL3262054) Show SMILES Cc1cc(C)cc(OC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c1 |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014927 (CHEMBL3262058) Show SMILES Clc1ccc(cc1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50241154 ((Z)-5-(4'-Fluorobenzylidene)-2-thioxothiazolidin-4...) Show SMILES Fc1ccc(C=C2SC(S)=NC2=O)cc1 |w:5.4,c:9| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50092271 ((Z)-5-Benzylidene-2-thioxothiazolidin-4-one | (Z)-...) Show SMILES SC1=NC(=O)C(S1)=Cc1ccccc1 |w:7.8,t:1| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014926 (CHEMBL3262057) Show SMILES Clc1cccc(c1)C1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50247599 ((Z)-5-(4'-Hydroxybenzylidene)-2-thioxothiazolidin-...) Show SMILES Oc1ccc(C=C2SC(S)=NC2=O)cc1 |w:5.4,c:9| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50274855 ((Z)-5-(3'-Methylbenzylidene)-2-thioxothiazolidin-4...) Show SMILES Cc1cccc(C=C2SC(S)=NC2=O)c1 |w:6.5,c:10| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50274854 ((Z)-5-(2'-Methoxybenzylidene)-2-thioxothiazolidin-...) Show SMILES COc1ccccc1C=C1SC(S)=NC1=O |w:8.8,c:13| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014933 (CHEMBL3262074) Show SMILES O=C(NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O)c1ccccc1 |c:3| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014937 (CHEMBL3262076) Show SMILES O=C(Cc1ccccc1)NC1=C(c2ccoc2)C(=O)c2ccccc2C1=O |c:11| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014934 (CHEMBL3262075) Show SMILES O=Cc1cccc(c1)C1=C(NC(=O)Cc2ccccc2)C(=O)c2ccccc2C1=O |c:9| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014916 (CHEMBL3262050) Show SMILES COCCNC1=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:5| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014920 (CHEMBL3262051) Show SMILES O=C1C(NC2CCCC2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:9| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014921 (CHEMBL3262052) Show SMILES O=C1C(NCc2ccccc2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc12 |t:11| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50241156 ((Z)-5-(4'-Methylbenzylidene)-2-thioxothiazolidin-4...) Show SMILES Cc1ccc(C=C2SC(S)=NC2=O)cc1 |w:5.4,c:9| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50241489 ((Z)-5-(3'-Methoxybenzylidene)-2-thioxothiazolidin-...) Show SMILES COc1cccc(C=C2SC(S)=NC2=O)c1 |w:7.6,c:11| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014941 (CHEMBL3262081) Show SMILES [O-][N+](=O)c1cccc2C(=O)C(Nc3ccccc3)=C(NS(=O)(=O)c3ccccc3)C(=O)c12 |t:18| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014940 (CHEMBL3262080) Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3c(cccc3[N+]([O-])=O)C2=O)c1 |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50014939 (CHEMBL3262078) Show SMILES Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)c1 |c:8| 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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2014.03.015 BindingDB Entry DOI: 10.7270/Q2S75HVG
					More data for this Ligand-Target Pair
Arylamine N-acetyltransferase 1 (Homo sapiens (Human))	BDBM50241157 ((Z)-5-(4'-Methoxybenzylidene)-2-thioxothiazolidin-...) Show SMILES COc1ccc(C=C2SC(S)=NC2=O)cc1 |w:6.5,c:10| 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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2008.11.032 BindingDB Entry DOI: 10.7270/Q2PZ58Q3
					More data for this Ligand-Target Pair