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Found 124 hits Enz. Inhib. hit(s) with Target = 'Nicotinamide adenine dinucleotide synthetase (NADs)'   
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
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266764
PNG
(CHEMBL475957 | Compound ID 5824 | N-(3,4-dichlorop...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H14Cl2N4O5S/c20-17-10-5-14(11-18(17)21)24-31(29,30)16-8-3-13(4-9-16)23-19(26)22-12-1-6-15(7-2-12)25(27)28/h1-11,24H,(H2,22,23,26)
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n/an/a 6.40E+3n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266764
PNG
(CHEMBL475957 | Compound ID 5824 | N-(3,4-dichlorop...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H14Cl2N4O5S/c20-17-10-5-14(11-18(17)21)24-31(29,30)16-8-3-13(4-9-16)23-19(26)22-12-1-6-15(7-2-12)25(27)28/h1-11,24H,(H2,22,23,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266764
PNG
(CHEMBL475957 | Compound ID 5824 | N-(3,4-dichlorop...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C19H14Cl2N4O5S/c20-17-10-5-14(11-18(17)21)24-31(29,30)16-8-3-13(4-9-16)23-19(26)22-12-1-6-15(7-2-12)25(27)28/h1-11,24H,(H2,22,23,26)
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n/an/a 1.00E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98162
PNG
(1-[4-[[4-(aminomethyl)phenyl]sulfonylamino]phenyl]...)
Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19N5O5S/c21-13-14-4-10-19(11-5-14)31(29,30)24-16-8-6-15(7-9-16)22-20(26)23-17-2-1-3-18(12-17)25(27)28/h1-12,24H,13,21H2,(H2,22,23,26)
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n/an/a 1.53E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98164
PNG
(1-[4-[(4-aminophenyl)sulfonylamino]phenyl]-3-(2-ni...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H17N5O5S/c20-13-5-11-16(12-6-13)30(28,29)23-15-9-7-14(8-10-15)21-19(25)22-17-3-1-2-4-18(17)24(26)27/h1-12,23H,20H2,(H2,21,22,25)
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n/an/a 1.71E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266799
PNG
(2-((3-hydroxyphenylimino)methyl)-4-nitrophenol | C...)
Show SMILES Oc1cccc(c1)\N=C\c1cc(ccc1O)[N+]([O-])=O
Show InChI InChI=1S/C13H10N2O4/c16-12-3-1-2-10(7-12)14-8-9-6-11(15(18)19)4-5-13(9)17/h1-8,16-17H/b14-8+
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n/an/a 2.25E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98163
PNG
(1-[4-[[4-(aminomethyl)phenyl]sulfonylamino]phenyl]...)
Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19N5O5S/c21-13-14-5-11-17(12-6-14)31(29,30)24-16-9-7-15(8-10-16)22-20(26)23-18-3-1-2-4-19(18)25(27)28/h1-12,24H,13,21H2,(H2,22,23,26)
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n/an/a 2.45E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98161
PNG
(1-[4-[[4-(aminomethyl)phenyl]sulfonylamino]phenyl]...)
Show SMILES NCc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19N5O5S/c21-13-14-1-11-19(12-2-14)31(29,30)24-17-5-3-15(4-6-17)22-20(26)23-16-7-9-18(10-8-16)25(27)28/h1-12,24H,13,21H2,(H2,22,23,26)
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n/an/a 2.60E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98159
PNG
(1-[4-[[3-(aminomethyl)phenyl]sulfonylamino]phenyl]...)
Show SMILES NCc1cccc(c1)S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19N5O5S/c21-13-14-3-1-6-19(11-14)31(29,30)24-16-9-7-15(8-10-16)22-20(26)23-17-4-2-5-18(12-17)25(27)28/h1-12,24H,13,21H2,(H2,22,23,26)
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n/an/a 3.00E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98089
PNG
(1-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1
Show InChI InChI=1S/C19H14Cl2N4O5S/c20-17-10-9-16(11-18(17)21)31(29,30)24-14-3-1-12(2-4-14)22-19(26)23-13-5-7-15(8-6-13)25(27)28/h1-11,24H,(H2,22,23,26)
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n/an/a 3.27E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98158
PNG
(1-[4-[[3-(aminomethyl)phenyl]sulfonylamino]phenyl]...)
Show SMILES NCc1cccc(c1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H19N5O5S/c21-13-14-2-1-3-19(12-14)31(29,30)24-17-6-4-15(5-7-17)22-20(26)23-16-8-10-18(11-9-16)25(27)28/h1-12,24H,13,21H2,(H2,22,23,26)
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n/an/a 3.32E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266800
PNG
(2-benzoyl-3-(2-nitrophenyl)acrylonitrile | CHEMBL4...)
Show SMILES [O-][N+](=O)c1ccccc1\C=C(/C#N)C(=O)c1ccccc1
Show InChI InChI=1S/C16H10N2O3/c17-11-14(16(19)12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)18(20)21/h1-10H/b14-10+
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266801
PNG
(CHEMBL475967 | N-(4-fluorophenyl)-2-(3-(2-(5-nitro...)
Show SMILES [O-][N+](=O)c1c(C=Cc2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C22H16FN5O5/c23-14-6-8-15(9-7-14)24-19(29)12-27-11-13(16-3-1-2-4-18(16)27)5-10-17-20(28(32)33)21(30)26-22(31)25-17/h1-11H,12H2,(H,24,29)(H2,25,26,30,31)
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n/an/a 5.54E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266736
PNG
(CHEMBL476429 | N-(2-(5-bromo-2-chlorophenyl)benzo[...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1ccc2oc(nc2c1)-c1cc(Br)ccc1Cl
Show InChI InChI=1S/C20H11BrClN3O4/c21-12-4-6-16(22)15(9-12)20-24-17-10-13(5-7-18(17)29-20)23-19(26)11-2-1-3-14(8-11)25(27)28/h1-10H,(H,23,26)
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n/an/a 6.18E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266737
PNG
(CHEMBL476430 | N,N'-(4,4'-methylenebis(4,1-phenyle...)
Show SMILES O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc4OCOc4c3)cc2)cc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C29H22N2O6/c32-28(20-5-11-24-26(14-20)36-16-34-24)30-22-7-1-18(2-8-22)13-19-3-9-23(10-4-19)31-29(33)21-6-12-25-27(15-21)37-17-35-25/h1-12,14-15H,13,16-17H2,(H,30,32)(H,31,33)
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n/an/a 6.57E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278414
PNG
(CHEMBL469559 | N-(3-(5,7-dimethylbenzo[d]oxazol-2-...)
Show SMILES Cc1cc(C)c2oc(nc2c1)-c1cccc(NC(=O)\C=C\c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C24H19N3O4/c1-15-11-16(2)23-21(12-15)26-24(31-23)18-6-4-7-19(14-18)25-22(28)10-9-17-5-3-8-20(13-17)27(29)30/h3-14H,1-2H3,(H,25,28)/b10-9+
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n/an/a 6.80E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266738
PNG
(1,1'-(1,3-phenylenebis(methylene))bis(3-(4-methoxy...)
Show SMILES COc1ccc(CCNC(=O)NCc2cccc(CNC(=O)NCCc3ccc(OC)cc3)c2)cc1
Show InChI InChI=1S/C28H34N4O4/c1-35-25-10-6-21(7-11-25)14-16-29-27(33)31-19-23-4-3-5-24(18-23)20-32-28(34)30-17-15-22-8-12-26(36-2)13-9-22/h3-13,18H,14-17,19-20H2,1-2H3,(H2,29,31,33)(H2,30,32,34)
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278368
PNG
(4-nitro-N-(4-(phenyldiazenyl)phenyl)benzamide | CH...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)\N=N\c1ccccc1
Show InChI InChI=1S/C19H14N4O3/c24-19(14-6-12-18(13-7-14)23(25)26)20-15-8-10-17(11-9-15)22-21-16-4-2-1-3-5-16/h1-13H,(H,20,24)/b22-21+
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266797
PNG
(4-(3-(3,4-dichlorophenyl)ureido)-N-(pyrimidin-2-yl...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)cc1Cl
Show InChI InChI=1S/C17H13Cl2N5O3S/c18-14-7-4-12(10-15(14)19)23-17(25)22-11-2-5-13(6-3-11)28(26,27)24-16-20-8-1-9-21-16/h1-10H,(H,20,21,24)(H2,22,23,25)
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n/an/a 7.75E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266797
PNG
(4-(3-(3,4-dichlorophenyl)ureido)-N-(pyrimidin-2-yl...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)cc1Cl
Show InChI InChI=1S/C17H13Cl2N5O3S/c18-14-7-4-12(10-15(14)19)23-17(25)22-11-2-5-13(6-3-11)28(26,27)24-16-20-8-1-9-21-16/h1-10H,(H,20,21,24)(H2,22,23,25)
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n/an/a 7.75E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266798
PNG
(CHEMBL515932 | Compound ID 5833 | N-(2-hydroxy-4-n...)
Show SMILES Oc1cc(ccc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C21H21N7O5S/c29-17-12-15(28(31)32)6-7-16(17)23-18(30)13-34-21-25-19(22-14-4-2-1-3-5-14)24-20(26-21)27-8-10-33-11-9-27/h1-7,12,29H,8-11,13H2,(H,23,30)(H,22,24,25,26)
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n/an/a 7.83E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266798
PNG
(CHEMBL515932 | Compound ID 5833 | N-(2-hydroxy-4-n...)
Show SMILES Oc1cc(ccc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1)[N+]([O-])=O
Show InChI InChI=1S/C21H21N7O5S/c29-17-12-15(28(31)32)6-7-16(17)23-18(30)13-34-21-25-19(22-14-4-2-1-3-5-14)24-20(26-21)27-8-10-33-11-9-27/h1-7,12,29H,8-11,13H2,(H,23,30)(H,22,24,25,26)
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n/an/a 7.83E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278369
PNG
(4-(3-phenylureido)-N-(4-(3-phenylureido)phenyl)ben...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H23N5O3/c33-25(19-11-13-23(14-12-19)31-26(34)29-20-7-3-1-4-8-20)28-22-15-17-24(18-16-22)32-27(35)30-21-9-5-2-6-10-21/h1-18H,(H,28,33)(H2,29,31,34)(H2,30,32,35)
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n/an/a 7.90E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266766
PNG
(2-(5-(5-chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)...)
Show SMILES Cc1ccc(cc1CC(=O)c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)-c1nc2cc(Cl)ccc2o1
Show InChI InChI=1S/C23H16ClN3O6/c1-12-3-4-14(23-25-18-11-17(24)5-6-22(18)33-23)7-15(12)10-21(28)16-8-19(26(29)30)13(2)20(9-16)27(31)32/h3-9,11H,10H2,1-2H3
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n/an/a 8.40E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266769
PNG
(CHEMBL476794 | ethyl 2-(naphthalen-1-ylamino)-5-(4...)
Show SMILES CCOC(=O)C1C(=O)C(SC1=Nc1cccc2ccccc12)=Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H18N2O5S/c1-2-31-24(28)21-22(27)20(14-15-10-12-17(13-11-15)26(29)30)32-23(21)25-19-9-5-7-16-6-3-4-8-18(16)19/h3-14,21H,2H2,1H3
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n/an/a 8.60E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98090
PNG
(1-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c1
Show InChI InChI=1S/C19H14Cl2N4O5S/c20-17-9-8-16(11-18(17)21)31(29,30)24-13-6-4-12(5-7-13)22-19(26)23-14-2-1-3-15(10-14)25(27)28/h1-11,24H,(H2,22,23,26)
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n/an/a 9.55E+4n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278299
PNG
(1-(6-(7-chloroquinazolin-4-yloxy)pyridin-3-yl)-3-(...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H24ClN5O4/c1-34-22-10-7-17(13-23(22)35-19-4-2-3-5-19)31-26(33)32-18-8-11-24(28-14-18)36-25-20-9-6-16(27)12-21(20)29-15-30-25/h6-15,19H,2-5H2,1H3,(H2,31,32,33)
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n/an/a 9.70E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278189
PNG
(3-bromo-N-(3-(2-hydroxy-5-nitrobenzylideneamino)ph...)
Show SMILES Oc1ccc(cc1\C=N\c1cccc(NC(=O)c2cccc(Br)c2)c1)[N+]([O-])=O
Show InChI InChI=1S/C20H14BrN3O4/c21-15-4-1-3-13(9-15)20(26)23-17-6-2-5-16(11-17)22-12-14-10-18(24(27)28)7-8-19(14)25/h1-12,25H,(H,23,26)/b22-12+
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n/an/a 9.90E+4n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278190
PNG
((E)-2,4-dichloro-N-(3-(2-hydroxy-5-nitrobenzyliden...)
Show SMILES Oc1ccc(cc1\C=N\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)[N+]([O-])=O
Show InChI InChI=1S/C20H13Cl2N3O4/c21-13-4-6-17(18(22)9-13)20(27)24-15-3-1-2-14(10-15)23-11-12-8-16(25(28)29)5-7-19(12)26/h1-11,26H,(H,24,27)/b23-11+
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n/an/a 1.06E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278302
PNG
(2-(5-morpholino-2H-tetrazol-2-yl)-N'-((5-(3-nitrop...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1ccc(C=NNC(=O)Cn2nnc(n2)N2CCOCC2)o1
Show InChI InChI=1S/C18H18N8O5/c27-17(12-25-22-18(21-23-25)24-6-8-30-9-7-24)20-19-11-15-4-5-16(31-15)13-2-1-3-14(10-13)26(28)29/h1-5,10-11H,6-9,12H2,(H,20,27)
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n/an/a 1.09E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266767
PNG
(2,2'-(3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis(az...)
Show SMILES OC(=O)c1ccccc1NC1=CC(=O)C(Nc2ccccc2C(O)=O)=CC1=O
Show InChI InChI=1S/C20H14N2O6/c23-17-10-16(22-14-8-4-2-6-12(14)20(27)28)18(24)9-15(17)21-13-7-3-1-5-11(13)19(25)26/h1-10,21-22H,(H,25,26)(H,27,28)
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n/an/a 1.18E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278415
PNG
(1-(3-methoxyphenyl)-3-(5-((4-nitrophenoxy)methyl)-...)
Show SMILES COc1cccc(NC(=O)Nc2nnc(COc3ccc(cc3)[N+]([O-])=O)s2)c1
Show InChI InChI=1S/C17H15N5O5S/c1-26-14-4-2-3-11(9-14)18-16(23)19-17-21-20-15(28-17)10-27-13-7-5-12(6-8-13)22(24)25/h2-9H,10H2,1H3,(H2,18,19,21,23)
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n/an/a 1.24E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278417
PNG
(CHEMBL469774 | N-(4-carbamoylphenyl)-4-(2-chloro-4...)
Show SMILES NC(=O)c1ccc(NC(=O)c2ccc(Oc3ccc(cc3Cl)[N+]([O-])=O)cc2)cc1
Show InChI InChI=1S/C20H14ClN3O5/c21-17-11-15(24(27)28)7-10-18(17)29-16-8-3-13(4-9-16)20(26)23-14-5-1-12(2-6-14)19(22)25/h1-11H,(H2,22,25)(H,23,26)
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n/an/a 1.30E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98129
PNG
(1-(3-nitrophenyl)-3-[4-[[4-(trifluoromethyl)phenyl...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C20H15F3N4O5S/c21-20(22,23)13-4-10-18(11-5-13)33(31,32)26-15-8-6-14(7-9-15)24-19(28)25-16-2-1-3-17(12-16)27(29)30/h1-12,26H,(H2,24,25,28)
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n/an/a 1.43E+5n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266803
PNG
(CHEMBL475968 | N-(4-nitrophenyl)-4-(5-phenyl-1,3,4...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)c2ccc(cc2)-c2nnc(o2)-c2ccccc2)cc1
Show InChI InChI=1S/C21H14N4O4/c26-19(22-17-10-12-18(13-11-17)25(27)28)14-6-8-16(9-7-14)21-24-23-20(29-21)15-4-2-1-3-5-15/h1-13H,(H,22,26)
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n/an/a 1.46E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266768
PNG
((E)-2-(2-(3-nitrobenzylidene)hydrazinyl)-5-(4-nitr...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cnc(nc1)\[NH+]=N\[CH-]c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H11N6O4/c24-22(25)15-6-4-13(5-7-15)14-10-18-17(19-11-14)21-20-9-12-2-1-3-16(8-12)23(26)27/h1-11H/q-1/p+1/b21-20+
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n/an/a 1.60E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266765
PNG
(4-ethyl-N-(2-nitronaphthalen-1-yl)benzenesulfonami...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1c(ccc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C18H16N2O4S/c1-2-13-7-10-15(11-8-13)25(23,24)19-18-16-6-4-3-5-14(16)9-12-17(18)20(21)22/h3-12,19H,2H2,1H3
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n/an/a 1.68E+5n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM98128
PNG
(1-(4-nitrophenyl)-3-[4-[[4-(trifluoromethyl)phenyl...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(cc3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C20H15F3N4O5S/c21-20(22,23)13-1-11-18(12-2-13)33(31,32)26-16-5-3-14(4-6-16)24-19(28)25-15-7-9-17(10-8-15)27(29)30/h1-12,26H,(H2,24,25,28)
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n/an/a 1.68E+5n/an/an/an/a8.54



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinamide adenine dinucleotide synthetase (NADs) using HPLC Enzyme Assay


J Comb Chem 11: 617-25 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266765
PNG
(4-ethyl-N-(2-nitronaphthalen-1-yl)benzenesulfonami...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1c(ccc2ccccc12)[N+]([O-])=O
Show InChI InChI=1S/C18H16N2O4S/c1-2-13-7-10-15(11-8-13)25(23,24)19-18-16-6-4-3-5-14(16)9-12-17(18)20(21)22/h3-12,19H,2H2,1H3
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n/an/a 1.68E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278300
PNG
((3-amino-4-(1H-benzo[d]imidazol-2-yl)-5-(phenylami...)
Show SMILES Nc1c(sc(Nc2ccccc2)c1-c1nc2ccccc2[nH]1)C(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C24H17N5O3S/c25-20-19(23-27-17-8-4-5-9-18(17)28-23)24(26-15-6-2-1-3-7-15)33-22(20)21(30)14-10-12-16(13-11-14)29(31)32/h1-13,26H,25H2,(H,27,28)
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n/an/a 1.70E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266804
PNG
(2-(4-fluorophenyl)-2-oxoethyl 4-(4-nitrobenzamido)...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)OCC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C22H15FN2O6/c23-17-7-1-14(2-8-17)20(26)13-31-22(28)16-3-9-18(10-4-16)24-21(27)15-5-11-19(12-6-15)25(29)30/h1-12H,13H2,(H,24,27)
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n/an/a 1.76E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278462
PNG
(2-(4-(2-(1H-benzo[d]imidazol-2-yl)-2-cyanovinyl)ph...)
Show SMILES COc1ccccc1NC(=O)COc1ccc(\C=C(\C#N)c2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C25H20N4O3/c1-31-23-9-5-4-8-22(23)27-24(30)16-32-19-12-10-17(11-13-19)14-18(15-26)25-28-20-6-2-3-7-21(20)29-25/h2-14H,16H2,1H3,(H,27,30)(H,28,29)/b18-14-
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n/an/a 1.78E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278416
PNG
(2-(3-(3-nitrobenzoyl)thioureido)-4,5,6,7-tetrahydr...)
Show SMILES NC(=O)c1c(NC(=S)NC(=O)c2cccc(c2)[N+]([O-])=O)sc2CCCCc12
Show InChI InChI=1S/C17H16N4O4S2/c18-14(22)13-11-6-1-2-7-12(11)27-16(13)20-17(26)19-15(23)9-4-3-5-10(8-9)21(24)25/h3-5,8H,1-2,6-7H2,(H2,18,22)(H2,19,20,23,26)
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n/an/a 1.86E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278192
PNG
(CHEMBL512326 | N-(3-(1H-benzo[d]imidazol-2-yl)phen...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H17N3O/c1-14-9-11-15(12-10-14)21(25)22-17-6-4-5-16(13-17)20-23-18-7-2-3-8-19(18)24-20/h2-13H,1H3,(H,22,25)(H,23,24)
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n/an/a 1.89E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278463
PNG
(CHEMBL471872 | N-(3-(1H-benzo[d]imidazol-2-yl)-2-m...)
Show SMILES Cc1c(NC(=O)c2ccc(N3CCCC3)c(c2)[N+]([O-])=O)cccc1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H23N5O3/c1-16-18(24-26-20-8-2-3-9-21(20)27-24)7-6-10-19(16)28-25(31)17-11-12-22(23(15-17)30(32)33)29-13-4-5-14-29/h2-3,6-12,15H,4-5,13-14H2,1H3,(H,26,27)(H,28,31)
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n/an/a 1.93E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278370
PNG
(CHEMBL471236 | N-(3-(1,3-dioxo-2-phenylisoindolin-...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cccc(Oc2ccc3C(=O)N(C(=O)c3c2)c2ccccc2)c1
Show InChI InChI=1S/C27H17N3O6/c31-25(17-6-4-10-20(14-17)30(34)35)28-18-7-5-11-21(15-18)36-22-12-13-23-24(16-22)27(33)29(26(23)32)19-8-2-1-3-9-19/h1-16H,(H,28,31)
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n/an/a 2.02E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278244
PNG
(CHEMBL471664 | N-(2-(5-(2-bromo-5-methoxyphenyl)-1...)
Show SMILES COc1ccc(Br)c(c1)-c1nnc(o1)-c1ccccc1NC(=O)NC(=O)c1ccccc1Cl
Show InChI InChI=1S/C23H16BrClN4O4/c1-32-13-10-11-17(24)16(12-13)22-29-28-21(33-22)15-7-3-5-9-19(15)26-23(31)27-20(30)14-6-2-4-8-18(14)25/h2-12H,1H3,(H2,26,27,30,31)
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n/an/a 2.20E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278371
PNG
(CHEMBL471442 | N-(naphthalen-1-yl)-3-(3-nitrobenza...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1cccc(c1)C(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C24H17N3O4/c28-23(18-9-4-11-20(15-18)27(30)31)25-19-10-3-8-17(14-19)24(29)26-22-13-5-7-16-6-1-2-12-21(16)22/h1-15H,(H,25,28)(H,26,29)
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n/an/a 2.25E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50266805
PNG
((2-(6-amino-5-nitropyrimidin-4-ylamino)-5-chloroph...)
Show SMILES Nc1ncnc(Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1[N+]([O-])=O
Show InChI InChI=1S/C17H11Cl2N5O3/c18-9-5-6-13(23-17-14(24(26)27)16(20)21-8-22-17)11(7-9)15(25)10-3-1-2-4-12(10)19/h1-8H,(H3,20,21,22,23)
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n/an/a 2.31E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
Nicotinamide adenine dinucleotide synthetase (NADs)


(Bacillus anthracis)
BDBM50278245
PNG
(1-(6-(7-chloroquinazolin-4-yloxy)pyridin-3-yl)-3-(...)
Show SMILES Cc1onc(c1NC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1)-c1ccccc1
Show InChI InChI=1S/C24H17ClN6O3/c1-14-21(22(31-34-14)15-5-3-2-4-6-15)30-24(32)29-17-8-10-20(26-12-17)33-23-18-9-7-16(25)11-19(18)27-13-28-23/h2-13H,1H3,(H2,29,30,32)
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n/an/a 2.32E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis NAD synthetase


Bioorg Med Chem Lett 19: 2001-5 (2009)

More data for this
Ligand-Target Pair
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