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Found 120 hits Enz. Inhib. hit(s) with Target = 'Nicotinate-nucleotide adenylyltransferase'   
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
Nicotinate-nucleotide adenylyltransferase (NadD)


(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 2.00E+3n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318660
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Brc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20BrN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(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 7.30E+3n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM81357
PNG
(NadD inhibitor 3_05 | US8785499, 3_05)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C18H11Cl2N3OS2/c19-9-3-5-11(20)13(8-9)22-17(24)16-15(21)10-4-6-12(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98138
PNG
(1-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-(4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H18N4O6S/c1-30-18-10-12-19(13-11-18)31(28,29)23-16-4-2-14(3-5-16)21-20(25)22-15-6-8-17(9-7-15)24(26)27/h2-13,23H,1H3,(H2,21,22,25)
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n/an/a 1.01E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98099
PNG
(1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-3-(3-ni...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5S/c1-2-15-6-12-20(13-7-15)31(29,30)24-17-10-8-16(9-11-17)22-21(26)23-18-4-3-5-19(14-18)25(27)28/h3-14,24H,2H2,1H3,(H2,22,23,26)
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n/an/a 1.20E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM81358
PNG
(NadD inhibitor 3_15 | US8785499, 3_15)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1ccc(Cl)cc1F
Show InChI InChI=1S/C18H11ClFN3OS2/c19-9-3-5-12(11(20)8-9)22-17(24)16-15(21)10-4-6-13(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(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 1.21E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318661
PNG
(CHEMBL1084867 | N-(2-Chloro-phenyl)-3-(4-{[3-(2-ch...)
Show SMILES Clc1ccccc1NC(=O)CCC(=O)NN=Cc1ccc(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1
Show InChI InChI=1S/C28H26Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98122
PNG
(1-(4-nitrophenyl)-3-[4-[[2-(trifluoromethyl)phenyl...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C20H15F3N4O5S/c21-20(22,23)17-3-1-2-4-18(17)33(31,32)26-15-7-5-13(6-8-15)24-19(28)25-14-9-11-16(12-10-14)27(29)30/h1-12,26H,(H2,24,25,28)
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n/an/a 1.33E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
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8.00E+3n/a 1.50E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
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US Patent
n/an/a 1.50E+4n/an/an/an/an/an/a



University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...


US Patent US8785499 (2014)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318661
PNG
(CHEMBL1084867 | N-(2-Chloro-phenyl)-3-(4-{[3-(2-ch...)
Show SMILES Clc1ccccc1NC(=O)CCC(=O)NN=Cc1ccc(C=NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1
Show InChI InChI=1S/C28H26Cl2N6O4/c29-21-5-1-3-7-23(21)33-25(37)13-15-27(39)35-31-17-19-9-11-20(12-10-19)18-32-36-28(40)16-14-26(38)34-24-8-4-2-6-22(24)30/h1-12,17-18H,13-16H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98092
PNG
(1-(4-nitrophenyl)-3-[4-(o-tolylsulfonylamino)pheny...)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H18N4O5S/c1-14-4-2-3-5-19(14)30(28,29)23-17-8-6-15(7-9-17)21-20(25)22-16-10-12-18(13-11-16)24(26)27/h2-13,23H,1H3,(H2,21,22,25)
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n/an/a 1.63E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98113
PNG
(1-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-3-(4-n...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)cc1
Show InChI InChI=1S/C19H15ClN4O5S/c20-17-3-1-2-4-18(17)30(28,29)23-15-7-5-13(6-8-15)21-19(25)22-14-9-11-16(12-10-14)24(26)27/h1-12,23H,(H2,21,22,25)
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n/an/a 1.73E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98117
PNG
(1-[4-[(3-chlorophenyl)sulfonylamino]phenyl]-3-(3-n...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)c1
Show InChI InChI=1S/C19H15ClN4O5S/c20-13-3-1-6-18(11-13)30(28,29)23-15-9-7-14(8-10-15)21-19(25)22-16-4-2-5-17(12-16)24(26)27/h1-12,23H,(H2,21,22,25)
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n/an/a 1.75E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM81359
PNG
(NadD inhibitor 1_03 | US8785499, 1_03)
Show SMILES Brc1ccc(NC(=O)CCCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)cc1
Show InChI InChI=1S/C26H22BrN3O2/c27-20-12-14-21(15-13-20)29-25(31)10-5-11-26(32)30-28-17-24-22-8-3-1-6-18(22)16-19-7-2-4-9-23(19)24/h1-4,6-9,12-17H,5,10-11H2,(H,29,31)(H,30,32)/b28-17+
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n/an/a 1.80E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM81359
PNG
(NadD inhibitor 1_03 | US8785499, 1_03)
Show SMILES Brc1ccc(NC(=O)CCCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)cc1
Show InChI InChI=1S/C26H22BrN3O2/c27-20-12-14-21(15-13-20)29-25(31)10-5-11-26(32)30-28-17-24-22-8-3-1-6-18(22)16-19-7-2-4-9-23(19)24/h1-4,6-9,12-17H,5,10-11H2,(H,29,31)(H,30,32)/b28-17+
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US Patent
n/an/a 1.80E+4n/an/an/an/an/an/a



University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...


US Patent US8785499 (2014)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98116
PNG
(1-[4-[(3-chlorophenyl)sulfonylamino]phenyl]-3-(4-n...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)cc1
Show InChI InChI=1S/C19H15ClN4O5S/c20-13-2-1-3-18(12-13)30(28,29)23-16-6-4-14(5-7-16)21-19(25)22-15-8-10-17(11-9-15)24(26)27/h1-12,23H,(H2,21,22,25)
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n/an/a 1.93E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98095
PNG
(1-[4-(m-tolylsulfonylamino)phenyl]-3-(4-nitropheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H18N4O5S/c1-14-3-2-4-19(13-14)30(28,29)23-17-7-5-15(6-8-17)21-20(25)22-16-9-11-18(12-10-16)24(26)27/h2-13,23H,1H3,(H2,21,22,25)
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n/an/a 1.99E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM81357
PNG
(NadD inhibitor 3_05 | US8785499, 3_05)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C18H11Cl2N3OS2/c19-9-3-5-11(20)13(8-9)22-17(24)16-15(21)10-4-6-12(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...


US Patent US8785499 (2014)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM81357
PNG
(NadD inhibitor 3_05 | US8785499, 3_05)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl
Show InChI InChI=1S/C18H11Cl2N3OS2/c19-9-3-5-11(20)13(8-9)22-17(24)16-15(21)10-4-6-12(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98114
PNG
(1-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-3-(3-n...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)c1
Show InChI InChI=1S/C19H15ClN4O5S/c20-17-6-1-2-7-18(17)30(28,29)23-14-10-8-13(9-11-14)21-19(25)22-15-4-3-5-16(12-15)24(26)27/h1-12,23H,(H2,21,22,25)
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n/an/a 2.04E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98104
PNG
(1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(4-n...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)cc1
Show InChI InChI=1S/C19H15FN4O5S/c20-17-3-1-2-4-18(17)30(28,29)23-15-7-5-13(6-8-15)21-19(25)22-14-9-11-16(12-10-14)24(26)27/h1-12,23H,(H2,21,22,25)
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n/an/a 2.22E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
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9.00E+3n/a 2.50E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318652
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(3...)
Show SMILES Clc1cccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)c1
Show InChI InChI=1S/C25H20ClN3O2/c26-19-8-5-9-20(15-19)28-24(30)12-13-25(31)29-27-16-23-21-10-3-1-6-17(21)14-18-7-2-4-11-22(18)23/h1-11,14-16H,12-13H2,(H,28,30)(H,29,31)/b27-16+
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318659
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(2...)
Show SMILES Brc1ccccc1NC(=O)CCC(=O)N\N=C\c1c2ccccc2cc2ccccc12
Show InChI InChI=1S/C25H20BrN3O2/c26-22-11-5-6-12-23(22)28-24(30)13-14-25(31)29-27-16-21-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)21/h1-12,15-16H,13-14H2,(H,28,30)(H,29,31)/b27-16+
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98135
PNG
(1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-3-(4-...)
Show SMILES COc1cccc(c1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H18N4O6S/c1-30-18-3-2-4-19(13-18)31(28,29)23-16-7-5-14(6-8-16)21-20(25)22-15-9-11-17(12-10-15)24(26)27/h2-13,23H,1H3,(H2,21,22,25)
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n/an/a 2.50E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98125
PNG
(1-(4-nitrophenyl)-3-[4-[[3-(trifluoromethyl)phenyl...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3cccc(c3)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C20H15F3N4O5S/c21-20(22,23)13-2-1-3-18(12-13)33(31,32)26-16-6-4-14(5-7-16)24-19(28)25-15-8-10-17(11-9-15)27(29)30/h1-12,26H,(H2,24,25,28)
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n/an/a 2.67E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318657
PNG
((E)-2-(3,5-dibromo-4-methylphenylamino)-N'-(1-(2,4...)
Show SMILES COc1ccc(C(C)=NNC(=O)CNc2cc(Br)c(C)c(Br)c2)c(OC)c1
Show InChI InChI=1S/C19H21Br2N3O3/c1-11-16(20)7-13(8-17(11)21)22-10-19(25)24-23-12(2)15-6-5-14(26-3)9-18(15)27-4/h5-9,22H,10H2,1-4H3,(H,24,25)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318658
PNG
((E)-4-(2-(anthracen-9-ylmethylene)hydrazinyl)-N-(4...)
Show SMILES Brc1ccc(NC(=O)CCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)cc1
Show InChI InChI=1S/C25H20BrN3O2/c26-19-9-11-20(12-10-19)28-24(30)13-14-25(31)29-27-16-23-21-7-3-1-5-17(21)15-18-6-2-4-8-22(18)23/h1-12,15-16H,13-14H2,(H,28,30)(H,29,31)/b27-16+
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM81359
PNG
(NadD inhibitor 1_03 | US8785499, 1_03)
Show SMILES Brc1ccc(NC(=O)CCCC(=O)N\N=C\c2c3ccccc3cc3ccccc23)cc1
Show InChI InChI=1S/C26H22BrN3O2/c27-20-12-14-21(15-13-20)29-25(31)10-5-11-26(32)30-28-17-24-22-8-3-1-6-18(22)16-19-7-2-4-9-23(19)24/h1-4,6-9,12-17H,5,10-11H2,(H,29,31)(H,30,32)/b28-17+
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n/an/a 3.30E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98107
PNG
(1-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(4-n...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)cc1
Show InChI InChI=1S/C19H15FN4O5S/c20-13-2-1-3-18(12-13)30(28,29)23-16-6-4-14(5-7-16)21-19(25)22-15-8-10-17(11-9-15)24(26)27/h1-12,23H,(H2,21,22,25)
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n/an/a 3.58E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
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1.80E+4n/a 3.60E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98109
PNG
(1-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-3-(2-n...)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
Show InChI InChI=1S/C19H15FN4O5S/c20-13-4-3-5-16(12-13)30(28,29)23-15-10-8-14(9-11-15)21-19(25)22-17-6-1-2-7-18(17)24(26)27/h1-12,23H,(H2,21,22,25)
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n/an/a 3.61E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM81358
PNG
(NadD inhibitor 3_15 | US8785499, 3_15)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1ccc(Cl)cc1F
Show InChI InChI=1S/C18H11ClFN3OS2/c19-9-3-5-12(11(20)8-9)22-17(24)16-15(21)10-4-6-13(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...


US Patent US8785499 (2014)

More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM81358
PNG
(NadD inhibitor 3_15 | US8785499, 3_15)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1ccc(Cl)cc1F
Show InChI InChI=1S/C18H11ClFN3OS2/c19-9-3-5-12(11(20)8-9)22-17(24)16-15(21)10-4-6-13(23-18(10)26-16)14-2-1-7-25-14/h1-8H,21H2,(H,22,24)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(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 5.12E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM81361
PNG
(NadD inhibitor 3_23 | US8785499, 3_23)
Show SMILES Nc1c(sc2nc(ccc12)-c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1Cl
Show InChI InChI=1S/C20H12ClF2N3OS/c21-14-9-12(23)5-7-16(14)25-19(27)18-17(24)13-6-8-15(26-20(13)28-18)10-1-3-11(22)4-2-10/h1-9H,24H2,(H,25,27)
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n/an/a 6.30E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
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2.50E+4n/a 6.50E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Escherichia coli)
BDBM50318653
PNG
(3-amino-N-(3-fluorophenyl)-6-(thiophen-2-yl)thieno...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Maryland, Baltimore; The Board of Regents of the University of Texas System; Sanford-Burnham Medical Research Institute

US Patent


Assay Description
A general phosphate detection assay method using Malachite Green reagent was adapted to measure the activity of NaMN adenylyltransferaseA14. Briefly,...


US Patent US8785499 (2014)

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Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(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 7.46E+4n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


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More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM81362
PNG
(NadD inhibitor 15_11 | US8785499, 15_11)
Show SMILES COC(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C17H14N2O3/c1-22-17(21)11-6-8-12(9-7-11)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,14H,1H3,(H,19,20)
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n/an/a 9.80E+4n/an/an/an/an/an/a



Burnham Institute for Medical Research



Assay Description
The enzymatic assay was masured at fixed NaMN and ATP concentration (equal to two-fold km values)with various concentration of inhibitory compounds.


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More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)
BDBM50318656
PNG
((E)-N-(4-bromophenyl)-4-(2-(4-fluorobenzylidene)hy...)
Show SMILES Fc1ccc(\C=N\NC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1
Show InChI InChI=1S/C17H15BrFN3O2/c18-13-3-7-15(8-4-13)21-16(23)9-10-17(24)22-20-11-12-1-5-14(19)6-2-12/h1-8,11H,9-10H2,(H,21,23)(H,22,24)/b20-11+
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n/an/a 1.22E+5n/an/an/an/an/an/a



University of Texas Southwestern Medical Center

Curated by ChEMBL


Assay Description
Inhibition of Bacillus anthracis nicotinate-nucleotide adenylyltransferase preincubated for 5 mins before addition of substrate by malachite green re...


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More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98093
PNG
(1-(3-nitrophenyl)-3-[4-(o-tolylsulfonylamino)pheny...)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H18N4O5S/c1-14-5-2-3-8-19(14)30(28,29)23-16-11-9-15(10-12-16)21-20(25)22-17-6-4-7-18(13-17)24(26)27/h2-13,23H,1H3,(H2,21,22,25)
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n/an/a>1.50E+5n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98094
PNG
(1-(2-nitrophenyl)-3-[4-(o-tolylsulfonylamino)pheny...)
Show SMILES Cc1ccccc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H18N4O5S/c1-14-6-2-5-9-19(14)30(28,29)23-16-12-10-15(11-13-16)21-20(25)22-17-7-3-4-8-18(17)24(26)27/h2-13,23H,1H3,(H2,21,22,25)
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n/an/a>1.50E+5n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98096
PNG
(1-[4-(m-tolylsulfonylamino)phenyl]-3-(3-nitropheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H18N4O5S/c1-14-4-2-7-19(12-14)30(28,29)23-16-10-8-15(9-11-16)21-20(25)22-17-5-3-6-18(13-17)24(26)27/h2-13,23H,1H3,(H2,21,22,25)
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n/an/a>1.50E+5n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98097
PNG
(1-[4-(m-tolylsulfonylamino)phenyl]-3-(2-nitropheny...)
Show SMILES Cc1cccc(c1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H18N4O5S/c1-14-5-4-6-17(13-14)30(28,29)23-16-11-9-15(10-12-16)21-20(25)22-18-7-2-3-8-19(18)24(26)27/h2-13,23H,1H3,(H2,21,22,25)
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n/an/a>1.50E+5n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98098
PNG
(1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-3-(4-ni...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5S/c1-2-15-3-13-20(14-4-15)31(29,30)24-18-7-5-16(6-8-18)22-21(26)23-17-9-11-19(12-10-17)25(27)28/h3-14,24H,2H2,1H3,(H2,22,23,26)
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n/an/a>1.50E+5n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


Citation and Details
More data for this
Ligand-Target Pair
Nicotinate-nucleotide adenylyltransferase (NadD)


(Bacillus anthracis)
BDBM98100
PNG
(1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-3-(2-ni...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Nc1ccc(NC(=O)Nc2ccccc2[N+]([O-])=O)cc1
Show InChI InChI=1S/C21H20N4O5S/c1-2-15-7-13-18(14-8-15)31(29,30)24-17-11-9-16(10-12-17)22-21(26)23-19-5-3-4-6-20(19)25(27)28/h3-14,24H,2H2,1H3,(H2,22,23,26)
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n/an/a>1.50E+5n/an/an/an/a7.50



University of Alabama at Birmingham



Assay Description
Inhibitory concentration of the compound measured against B. anthracis Nicotinic acid mononucleotide adenylyltransferase (NaMNAT)using HPLC Enzyme As...


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More data for this
Ligand-Target Pair
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