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Compile Data Set for Download or QSAR

Found 102 hits of affinity data for UniProtKB/TrEMBL: C3L5T6   
Target/Host
(Institution)		LigandTarget/Host
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
Probable 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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 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.

Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Probable 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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 9.00E+3n/an/an/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 NaMN substrate by malachite gre...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Probable 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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 1.00E+4n/an/an/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 ATP substrate by malachite gree...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Probable 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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 1.00E+4n/an/an/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.

Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase


(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.

Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase


(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/an/an/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 NaMN substrate by malachite gre...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase


(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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 3.20E+4n/an/an/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 ATP substrate by malachite gree...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase


(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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 3.20E+4n/an/an/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.

Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable 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...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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.

Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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.

Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable 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 |w:21.21,15.15|
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...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair
Probable 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 |w:21.21,15.15|
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...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable 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...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable 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...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable 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 |w:8.8|
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...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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.

Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
Probable 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...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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.

Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)		BDBM81362
PNG
(NadD inhibitor 15_11 | US8785499, 15_11)
Show SMILES COC(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12|
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.

Chem Biol 16: 849-61 (2009)


Article DOI: 10.1016/j.chembiol.2009.07.006
BindingDB Entry DOI: 10.7270/Q2N8787C
More data for this
Ligand-Target Pair
Probable 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...

J Med Chem 53: 5229-39 (2010)


Article DOI: 10.1021/jm100377f
BindingDB Entry DOI: 10.7270/Q2Z89DDT
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)		BDBM98101
PNG
(1-(4-nitrophenyl)-3-[4-[(4-phenylphenyl)sulfonylam...)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1
Show InChI InChI=1S/C25H20N4O5S/c30-25(27-21-12-14-23(15-13-21)29(31)32)26-20-8-10-22(11-9-20)28-35(33,34)24-16-6-19(7-17-24)18-4-2-1-3-5-18/h1-17,28H,(H2,26,27,30)
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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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)		BDBM98102
PNG
(1-(3-nitrophenyl)-3-[4-[(4-phenylphenyl)sulfonylam...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)cc2)c1
Show InChI InChI=1S/C25H20N4O5S/c30-25(27-22-7-4-8-23(17-22)29(31)32)26-20-11-13-21(14-12-20)28-35(33,34)24-15-9-19(10-16-24)18-5-2-1-3-6-18/h1-17,28H,(H2,26,27,30)
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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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)		BDBM98103
PNG
(1-(2-nitrophenyl)-3-[4-[(4-phenylphenyl)sulfonylam...)
Show SMILES [O-][N+](=O)c1ccccc1NC(=O)Nc1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C25H20N4O5S/c30-25(27-23-8-4-5-9-24(23)29(31)32)26-20-12-14-21(15-13-20)28-35(33,34)22-16-10-19(11-17-22)18-6-2-1-3-7-18/h1-17,28H,(H2,26,27,30)
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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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
Probable nicotinate-nucleotide adenylyltransferase


(Bacillus anthracis)		BDBM98105
PNG
(1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-3-(3-n...)
Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccccc3F)cc2)c1
Show InChI InChI=1S/C19H15FN4O5S/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>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...

J Comb Chem 11: 617-25 (2009)


Article DOI: 10.1021/cc9000357
BindingDB Entry DOI: 10.7270/Q2K35S9C
More data for this
Ligand-Target Pair
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