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PubMed code 24636345

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108084
PNG
(3-((5-nitrothiophen-2-yl)methylene)indolin-2-one (...)
Show SMILES [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)s1
Show InChI InChI=1S/C13H8N2O3S/c16-13-10(9-3-1-2-4-11(9)14-13)7-8-5-6-12(19-8)15(17)18/h1-7H,(H,14,16)/b10-7-
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n/an/a 930n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM22787
PNG
(1-acetyl-2,3-dihydro-1H-indole-2,3-dione | Acetyli...)
Show SMILES CC(=O)N1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
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n/an/a 990n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108083
PNG
(3-(4-nitrobenzylidene)indolin-2-one (Compound 24))
Show SMILES [O-][N+](=O)c1ccc(\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H10N2O3/c18-15-13(12-3-1-2-4-14(12)16-15)9-10-5-7-11(8-6-10)17(19)20/h1-9H,(H,16,18)/b13-9-
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n/an/a 1.01E+3n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM11022
PNG
(2,3-dihydro-1H-indole-2,3-dione | CHEMBL326294 | I...)
Show SMILES O=C1Nc2ccccc2C1=O
Show InChI InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
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n/an/a 1.08E+3n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM10304
PNG
(1-methyl-2,3-dihydro-1H-indole-2,3-dione | CHEMBL6...)
Show SMILES CN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
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n/an/a 1.96E+3n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108065
PNG
(1‐ethylindole‐2,3‐dione (Compoun...)
Show SMILES CCN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3
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n/an/a 2.27E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM22793
PNG
(1‐phenylindole‐2,3‐dione (Compou...)
Show SMILES O=C1N(c2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H
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n/an/a 2.33E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108072
PNG
(1‐[(3Z)‐1‐acetyl‐2‐o...)
Show SMILES CC(=O)N1C(=O)C(=NC(=O)NN)c2ccccc12 |w:7.7|
Show InChI InChI=1S/C11H10N4O3/c1-6(16)15-8-5-3-2-4-7(8)9(10(15)17)13-11(18)14-12/h2-5H,12H2,1H3,(H,14,18)
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n/an/a 2.50E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108081
PNG
(5‐(piperidin‐1‐yl)‐1H̴...)
Show SMILES O=C1Nc2ccc(cc2C1=O)N1CCCCC1
Show InChI InChI=1S/C13H14N2O2/c16-12-10-8-9(15-6-2-1-3-7-15)4-5-11(10)14-13(12)17/h4-5,8H,1-3,6-7H2,(H,14,16,17)
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n/an/a 2.56E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108082
PNG
(5‐[4‐(furan‐2‐carbonyl)pip...)
Show SMILES O=C(N1CCN(CC1)c1ccc2NC(=O)C(=O)c2c1)c1ccco1
Show InChI InChI=1S/C17H15N3O4/c21-15-12-10-11(3-4-13(12)18-16(15)22)19-5-7-20(8-6-19)17(23)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,18,21,22)
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n/an/a 2.88E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108071
PNG
(1‐[(3Z)‐1‐acetyl‐2‐o...)
Show SMILES CC(=O)n1c(O)c(NC(=S)N=N)c2ccccc12
Show InChI InChI=1S/C11H10N4O2S/c1-6(16)15-8-5-3-2-4-7(8)9(10(15)17)13-11(18)14-12/h2-5,12,17H,1H3,(H,13,18)
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n/an/a 3.05E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108079
PNG
(5‐(4‐methylpiperazin‐1‐yl)...)
Show SMILES CN1CCN(CC1)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C13H15N3O2/c1-15-4-6-16(7-5-15)9-2-3-11-10(8-9)12(17)13(18)14-11/h2-3,8H,4-7H2,1H3,(H,14,17,18)
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n/an/a 3.19E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108077
PNG
(5‐(2,5‐dimethylphenyl)‐1H‐...)
Show SMILES Cc1ccc(C)c(c1)-c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C16H13NO2/c1-9-3-4-10(2)12(7-9)11-5-6-14-13(8-11)15(18)16(19)17-14/h3-8H,1-2H3,(H,17,18,19)
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n/an/a 3.65E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM50334290
PNG
(5‐phenyl‐1H‐indole‐2,3R...)
Show SMILES O=C1Nc2ccc(cc2C1=O)-c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)15-14(13)17/h1-8H,(H,15,16,17)
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n/an/a 3.71E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108078
PNG
(5‐(piperazin‐1‐yl)‐1H̴...)
Show SMILES O=C1Nc2ccc(cc2C1=O)N1CCNCC1
Show InChI InChI=1S/C12H13N3O2/c16-11-9-7-8(15-5-3-13-4-6-15)1-2-10(9)14-12(11)17/h1-2,7,13H,3-6H2,(H,14,16,17)
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n/an/a 3.99E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108068
PNG
(1‐(2,2‐dimethylpropanoyl)indole‐...)
Show SMILES CC(C)(C)C(=O)N1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C13H13NO3/c1-13(2,3)12(17)14-9-7-5-4-6-8(9)10(15)11(14)16/h4-7H,1-3H3
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n/an/a 4.10E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108070
PNG
(3‐amino‐1‐[(3Z)‐2‐ox...)
Show SMILES NNC(=O)\N=C1/C(=O)Nc2ccccc12
Show InChI InChI=1S/C9H8N4O2/c10-13-9(15)12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4H,10H2,(H2,11,12,13,14,15)
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n/an/a 5.41E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108080
PNG
(5‐{4‐[3‐(trifluoromethyl)phenyl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C19H16F3N3O2/c20-19(21,22)12-2-1-3-13(10-12)24-6-8-25(9-7-24)14-4-5-16-15(11-14)17(26)18(27)23-16/h1-5,10-11H,6-9H2,(H,23,26,27)
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n/an/a 5.57E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108069
PNG
(3‐amino‐1‐[(3Z)‐2‐ox...)
Show SMILES NNC(=S)N=C1C(=O)Nc2ccccc12 |w:4.3|
Show InChI InChI=1S/C9H8N4OS/c10-13-9(15)12-7-5-3-1-2-4-6(5)11-8(7)14/h1-4H,10H2,(H2,11,12,13,14,15)
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n/an/a 6.69E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108066
PNG
(1‐isopropylindole‐2,3‐dione (Com...)
Show SMILES CC(C)N1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C11H11NO2/c1-7(2)12-9-6-4-3-5-8(9)10(13)11(12)14/h3-7H,1-2H3
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PubMed
n/an/a 7.51E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108076
PNG
(5‐(2,3‐dichlorophenyl)‐1H‐...)
Show SMILES Clc1cccc(c1Cl)-c1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C14H7Cl2NO2/c15-10-3-1-2-8(12(10)16)7-4-5-11-9(6-7)13(18)14(19)17-11/h1-6H,(H,17,18,19)
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PubMed
n/an/a 9.57E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108067
PNG
(1‐(prop‐2‐en‐1‐yl)in...)
Show SMILES C=CCN1C(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C11H9NO2/c1-2-7-12-9-6-4-3-5-8(9)10(13)11(12)14/h2-6H,1,7H2
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PubMed
n/an/a 9.66E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108075
PNG
((3Z)‐3‐(hydroxyimino)‐1H‐i...)
Show SMILES O=NC1C(=O)Nc2ccccc12
Show InChI InChI=1S/C8H6N2O2/c11-8-7(10-12)5-3-1-2-4-6(5)9-8/h1-4,7H,(H,9,11)
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n/an/a 9.81E+4n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108074
PNG
((3Z)‐3‐[(6‐nitro‐1,3‐...)
Show SMILES [O-][N+](=O)c1ccc2nc(\N=C3/C(=O)Nc4ccccc34)sc2c1
Show InChI InChI=1S/C15H8N4O3S/c20-14-13(9-3-1-2-4-10(9)16-14)18-15-17-11-6-5-8(19(21)22)7-12(11)23-15/h1-7H,(H,16,17,18,20)
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n/an/a>1.00E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
Secreted chorismate mutase


(Mycobacterium tuberculosis H37Rv)		BDBM108073
PNG
((3Z)‐3‐[(5‐nitro‐1,3‐...)
Show SMILES [O-][N+](=O)c1cnc(\N=C2/C(=O)Nc3ccccc23)s1
Show InChI InChI=1S/C11H6N4O3S/c16-10-9(6-3-1-2-4-7(6)13-10)14-11-12-5-8(19-11)15(17)18/h1-5H,(H,12,13,14,16)
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UniChem
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PubMed
n/an/a>1.00E+5n/an/an/an/an/a37



Birla Institute of Technology & Science-Pilani, Hyderabad Campus, Shameerpet, R.R. District, Hyderabad, Andhra Pradesh, 500078, India



Assay Description
The reaction was initiated by the addition of 150pmoles of enzyme to a mixture of inhibitor (40µM, 20 µM, 10 µM, 5 µM, 1 µM ...

Chem Biol Drug Des 83: 498-506 (2014)


Article DOI: 10.1111/cbdd.12265
BindingDB Entry DOI: 10.7270/Q2F76B65
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%