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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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