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Compile Data Set for Download or QSAR

Found 232 hits with Last Name = 'devi' and Initial = 'pb'   
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
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r|
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 125n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147729
PNG
(CHEMBL3765483)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C17H12BrN3OS/c1-10-15(16(22)20-12-8-6-11(18)7-9-12)21-13-4-2-3-5-14(13)23-17(21)19-10/h2-9H,1H3,(H,20,22)
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n/an/a 520n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147691
PNG
(CHEMBL3764865)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C24H18N4O3S/c1-15-21(28-19-9-5-6-10-20(19)32-24(28)25-15)23(30)27-26-22(29)16-11-13-18(14-12-16)31-17-7-3-2-4-8-17/h2-14H,1H3,(H,26,29)(H,27,30)
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n/an/a 530n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147716
PNG
(CHEMBL3763241)
Show SMILES Cc1nc2sccn2c1C(=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C14H12N4OS/c1-10-12(18-7-8-20-14(18)16-10)13(19)17-15-9-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19)/b15-9+
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n/an/a 580n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147695
PNG
(CHEMBL3765314)
Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C18H14N4O2S/c1-11-15(22-9-10-25-18(22)19-11)17(24)21-20-16(23)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3,(H,20,23)(H,21,24)
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n/an/a 640n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147715
PNG
(CHEMBL3764614)
Show SMILES Cc1nc2sccn2c1C(=O)N\N=C\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N4OS/c1-9-12(22-6-7-24-14(22)20-9)13(23)21-19-8-10-2-4-11(5-3-10)15(16,17)18/h2-8H,1H3,(H,21,23)/b19-8+
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n/an/a 670n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147724
PNG
(CHEMBL3764280)
Show SMILES Cc1nc2sccn2c1C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C13H10BrN3OS/c1-8-11(17-6-7-19-13(17)15-8)12(18)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,18)
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n/an/a 690n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147725
PNG
(CHEMBL3765736)
Show SMILES Cc1nc2sccn2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H11N3OS/c1-9-11(16-7-8-18-13(16)14-9)12(17)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)
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n/an/a 740n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147732
PNG
(CHEMBL3764694)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H15N3OS/c1-12-16(17(22)19-11-13-7-3-2-4-8-13)21-14-9-5-6-10-15(14)23-18(21)20-12/h2-10H,11H2,1H3,(H,19,22)
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n/an/a 840n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147733
PNG
(CHEMBL3763165)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H19N3OS/c1-11-15(16(21)19-12-7-3-2-4-8-12)20-13-9-5-6-10-14(13)22-17(20)18-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,19,21)
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n/an/a 1.02E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147719
PNG
(CHEMBL3763769)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C18H13BrN4OS/c1-11-16(17(24)22-20-10-12-6-8-13(19)9-7-12)23-14-4-2-3-5-15(14)25-18(23)21-11/h2-10H,1H3,(H,22,24)/b20-10+
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n/an/a 1.02E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147730
PNG
(CHEMBL3765612)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C17H13N3OS/c1-11-15(16(21)19-12-7-3-2-4-8-12)20-13-9-5-6-10-14(13)22-17(20)18-11/h2-10H,1H3,(H,19,21)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147727
PNG
(CHEMBL3765386)
Show SMILES Cc1nc2sccn2c1C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H13N3OS/c1-10-12(17-7-8-19-14(17)16-10)13(18)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,18)
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n/an/a 1.06E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147693
PNG
(CHEMBL3763613)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C18H14N4O2S/c1-11-15(17(24)21-20-16(23)12-7-3-2-4-8-12)22-13-9-5-6-10-14(13)25-18(22)19-11/h2-10H,1H3,(H,20,23)(H,21,24)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497467
PNG
(CHEMBL3344011)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C18H16FN3O3/c19-12-6-9-14-15(10-12)22-18(21-14)11-4-7-13(8-5-11)20-16(23)2-1-3-17(24)25/h4-10H,1-3H2,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147712
PNG
(CHEMBL3764292)
Show SMILES Cc1nc2sccn2c1C(=O)N\N=C\c1ccc(Br)cc1
Show InChI InChI=1S/C14H11BrN4OS/c1-9-12(19-6-7-21-14(19)17-9)13(20)18-16-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H,18,20)/b16-8+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147696
PNG
(CHEMBL3763438)
Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H16N4O3S/c1-13-17(24-11-12-28-20(24)21-13)19(26)23-22-18(25)14-7-9-16(10-8-14)27-15-5-3-2-4-6-15/h2-12H,1H3,(H,22,25)(H,23,26)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50497467
PNG
(CHEMBL3344011)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C18H16FN3O3/c19-12-6-9-14-15(10-12)22-18(21-14)11-4-7-13(8-5-11)20-16(23)2-1-3-17(24)25/h4-10H,1-3H2,(H,20,23)(H,21,22)(H,24,25)
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n/an/a 1.32E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147690
PNG
(CHEMBL3763254)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H16N4O2S/c1-13-19(26-17-11-4-5-12-18(17)29-22(26)23-13)21(28)25-24-20(27)16-10-6-8-14-7-2-3-9-15(14)16/h2-12H,1H3,(H,24,27)(H,25,28)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147723
PNG
(CHEMBL3764019)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc1
Show InChI InChI=1S/C20H19N5OS/c1-13-18(25-16-6-4-5-7-17(16)27-20(25)22-13)19(26)23-21-12-14-8-10-15(11-9-14)24(2)3/h4-12H,1-3H3,(H,23,26)/b21-12+
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n/an/a 1.46E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497516
PNG
(CHEMBL3344044)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O3S/c21-13(8-24-9-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-7-17-16(12)20-15/h1-7H,8-9H2,(H,18,21)(H,22,23)(H,17,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50497758
PNG
(CHEMBL3309662)
Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C20H16N4O2/c1-13-18(24-12-5-4-11-17(24)21-13)20(26)23-22-19(25)16-10-6-8-14-7-2-3-9-15(14)16/h2-12H,1H3,(H,22,25)(H,23,26)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry

Bioorg Med Chem 22: 4223-32 (2014)


Article DOI: 10.1016/j.bmc.2014.05.038
BindingDB Entry DOI: 10.7270/Q2D79FDX
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50497761
PNG
(CHEMBL1487172)
Show SMILES Cc1nc2ccccn2c1C(=O)NC1CCCCC1
Show InChI InChI=1S/C15H19N3O/c1-11-14(18-10-6-5-9-13(18)16-11)15(19)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,19)
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n/an/a 1.99E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry

Bioorg Med Chem 22: 4223-32 (2014)


Article DOI: 10.1016/j.bmc.2014.05.038
BindingDB Entry DOI: 10.7270/Q2D79FDX
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147728
PNG
(CHEMBL3763965)
Show SMILES Cc1nc2sccn2c1C(=O)NC1CCCCC1
Show InChI InChI=1S/C13H17N3OS/c1-9-11(16-7-8-18-13(16)14-9)12(17)15-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147722
PNG
(CHEMBL3763344)
Show SMILES COc1cc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc(OC)c1OC
Show InChI InChI=1S/C21H20N4O4S/c1-12-18(25-14-7-5-6-8-17(14)30-21(25)23-12)20(26)24-22-11-13-9-15(27-2)19(29-4)16(10-13)28-3/h5-11H,1-4H3,(H,24,26)/b22-11+
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n/an/a 2.07E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497507
PNG
(CHEMBL3344033)
Show SMILES OC(=O)CCCCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C18H18N4O3/c23-15(5-1-2-6-16(24)25)20-13-9-7-12(8-10-13)17-21-14-4-3-11-19-18(14)22-17/h3-4,7-11H,1-2,5-6H2,(H,20,23)(H,24,25)(H,19,21,22)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497491
PNG
(CHEMBL3341781)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O5S/c22-15(8-27-9-16(23)24)18-11-3-1-10(2-4-11)17-19-13-6-5-12(21(25)26)7-14(13)20-17/h1-7H,8-9H2,(H,18,22)(H,19,20)(H,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147731
PNG
(CHEMBL3765655)
Show SMILES CCOc1ccc(NC(=O)c2c(C)nc3sc4ccccc4n23)cc1
Show InChI InChI=1S/C19H17N3O2S/c1-3-24-14-10-8-13(9-11-14)21-18(23)17-12(2)20-19-22(17)15-6-4-5-7-16(15)25-19/h4-11H,3H2,1-2H3,(H,21,23)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147721
PNG
(CHEMBL3765594)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccccc1
Show InChI InChI=1S/C18H14N4OS/c1-12-16(17(23)21-19-11-13-7-3-2-4-8-13)22-14-9-5-6-10-15(14)24-18(22)20-12/h2-11H,1H3,(H,21,23)/b19-11+
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n/an/a 2.15E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497480
PNG
(CHEMBL3344019)
Show SMILES OC(=O)CC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N4O5/c21-14(8-15(22)23)17-10-3-1-9(2-4-10)16-18-12-6-5-11(20(24)25)7-13(12)19-16/h1-7H,8H2,(H,17,21)(H,18,19)(H,22,23)
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n/an/a 2.23E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50497516
PNG
(CHEMBL3344044)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O3S/c21-13(8-24-9-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-7-17-16(12)20-15/h1-7H,8-9H2,(H,18,21)(H,22,23)(H,17,19,20)
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n/an/a 2.31E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147718
PNG
(CHEMBL3763895)
Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2c(C)nc3sccn23)cc1
Show InChI InChI=1S/C16H17N5OS/c1-11-14(21-8-9-23-16(21)18-11)15(22)19-17-10-12-4-6-13(7-5-12)20(2)3/h4-10H,1-3H3,(H,19,22)/b17-10+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50497772
PNG
(CHEMBL1569394)
Show SMILES Cc1nc2ccccn2c1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O/c1-10-14(19-9-3-2-4-13(19)17-10)15(20)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,18,20)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry

Bioorg Med Chem 22: 4223-32 (2014)


Article DOI: 10.1016/j.bmc.2014.05.038
BindingDB Entry DOI: 10.7270/Q2D79FDX
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50497750
PNG
(CHEMBL2098049 | GSK957094A | TCMDC-142444)
Show SMILES Cc1nc2ccccn2c1C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H15N3O/c1-12-15(19-10-6-5-9-14(19)18-12)16(20)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,20)
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n/an/a 2.74E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry

Bioorg Med Chem 22: 4223-32 (2014)


Article DOI: 10.1016/j.bmc.2014.05.038
BindingDB Entry DOI: 10.7270/Q2D79FDX
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50497767
PNG
(CHEMBL3310315)
Show SMILES Cc1nc2ccccn2c1C(=O)NCc1ccco1
Show InChI InChI=1S/C14H13N3O2/c1-10-13(17-7-3-2-6-12(17)16-10)14(18)15-9-11-5-4-8-19-11/h2-8H,9H2,1H3,(H,15,18)
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n/an/a 2.81E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry

Bioorg Med Chem 22: 4223-32 (2014)


Article DOI: 10.1016/j.bmc.2014.05.038
BindingDB Entry DOI: 10.7270/Q2D79FDX
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497488
PNG
(CHEMBL3344036)
Show SMILES OC(=O)COCC(=O)Nc1ccc(cc1)-c1nc2cc(F)ccc2[nH]1
Show InChI InChI=1S/C17H14FN3O4/c18-11-3-6-13-14(7-11)21-17(20-13)10-1-4-12(5-2-10)19-15(22)8-25-9-16(23)24/h1-7H,8-9H2,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50497507
PNG
(CHEMBL3344033)
Show SMILES OC(=O)CCCCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C18H18N4O3/c23-15(5-1-2-6-16(24)25)20-13-9-7-12(8-10-13)17-21-14-4-3-11-19-18(14)22-17/h3-4,7-11H,1-2,5-6H2,(H,20,23)(H,24,25)(H,19,21,22)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497494
PNG
(CHEMBL3344000)
Show SMILES OC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H17N3O3/c22-16(6-3-7-17(23)24)19-13-10-8-12(9-11-13)18-20-14-4-1-2-5-15(14)21-18/h1-2,4-5,8-11H,3,6-7H2,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50147699
PNG
(CHEMBL3764636)
Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)C1CCCCC1
Show InChI InChI=1S/C18H20N4O2S/c1-11-15(17(24)21-20-16(23)12-7-3-2-4-8-12)22-13-9-5-6-10-14(13)25-18(22)19-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,23)(H,21,24)
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n/an/a 2.91E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...

Bioorg Med Chem 24: 1298-307 (2016)


Article DOI: 10.1016/j.bmc.2016.01.059
BindingDB Entry DOI: 10.7270/Q2C82C5B
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497511
PNG
(CHEMBL3344041)
Show SMILES COc1ccc2[nH]c(nc2c1)-c1ccc(NC(=O)COCC(O)=O)cc1
Show InChI InChI=1S/C18H17N3O5/c1-25-13-6-7-14-15(8-13)21-18(20-14)11-2-4-12(5-3-11)19-16(22)9-26-10-17(23)24/h2-8H,9-10H2,1H3,(H,19,22)(H,20,21)(H,23,24)
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n/an/a 3.06E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50026388
PNG
(CHEMBL3331278)
Show SMILES Cc1nc2ccc(Cl)cc2c(=O)n1CC(=O)Nc1ccccc1
Show InChI InChI=1S/C17H14ClN3O2/c1-11-19-15-8-7-12(18)9-14(15)17(23)21(11)10-16(22)20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,20,22)
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n/an/a 3.12E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science - Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...

Eur J Med Chem 86: 613-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.028
BindingDB Entry DOI: 10.7270/Q2SJ1N7N
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50026396
PNG
(CHEMBL3331275)
Show SMILES Clc1ccc2ncn(CC(=O)NCc3ccco3)c(=O)c2c1
Show InChI InChI=1S/C15H12ClN3O3/c16-10-3-4-13-12(6-10)15(21)19(9-18-13)8-14(20)17-7-11-2-1-5-22-11/h1-6,9H,7-8H2,(H,17,20)
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n/an/a 3.12E+3n/an/an/an/an/an/a



Birla Institute of Technology& Science - Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant InhA expressed in Escherichia coli BL21 (DE3) using 2-trans-decenoyl substrate by spectrophotome...

Eur J Med Chem 86: 613-27 (2014)


Article DOI: 10.1016/j.ejmech.2014.09.028
BindingDB Entry DOI: 10.7270/Q2SJ1N7N
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM166646
PNG
(4-((4-(furan-2-carboxamido)phenyl)amino)-4-oxobuta...)
Show SMILES OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C15H14N2O5/c18-13(7-8-14(19)20)16-10-3-5-11(6-4-10)17-15(21)12-2-1-9-22-12/h1-6,9H,7-8H2,(H,16,18)(H,17,21)(H,19,20)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497500
PNG
(CHEMBL3344030)
Show SMILES OC(=O)CCC(=O)Nc1ccc(cc1)-c1nc2cccnc2[nH]1
Show InChI InChI=1S/C16H14N4O3/c21-13(7-8-14(22)23)18-11-5-3-10(4-6-11)15-19-12-2-1-9-17-16(12)20-15/h1-6,9H,7-8H2,(H,18,21)(H,22,23)(H,17,19,20)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50497493
PNG
(CHEMBL3343999)
Show SMILES Cc1cc2ncn(CC(O)COc3cccc(c3)C(O)=O)c2cc1C
Show InChI InChI=1S/C19H20N2O4/c1-12-6-17-18(7-13(12)2)21(11-20-17)9-15(22)10-25-16-5-3-4-14(8-16)19(23)24/h3-8,11,15,22H,9-10H2,1-2H3,(H,23,24)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)		BDBM50497491
PNG
(CHEMBL3341781)
Show SMILES OC(=O)CSCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C17H14N4O5S/c22-15(8-27-9-16(23)24)18-11-3-1-10(2-4-11)17-19-13-6-5-12(21(25)26)7-14(13)20-17/h1-7H,8-9H2,(H,18,22)(H,19,20)(H,23,24)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity

Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50497756
PNG
(CHEMBL3310302)
Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H16N4O2/c1-11-6-8-13(9-7-11)16(22)19-20-17(23)15-12(2)18-14-5-3-4-10-21(14)15/h3-10H,1-2H3,(H,19,22)(H,20,23)
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n/an/a 3.35E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry

Bioorg Med Chem 22: 4223-32 (2014)


Article DOI: 10.1016/j.bmc.2014.05.038
BindingDB Entry DOI: 10.7270/Q2D79FDX
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50497759
PNG
(CHEMBL3309661)
Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccccc1
Show InChI InChI=1S/C16H14N4O2/c1-11-14(20-10-6-5-9-13(20)17-11)16(22)19-18-15(21)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,21)(H,19,22)
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n/an/a 3.54E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry

Bioorg Med Chem 22: 4223-32 (2014)


Article DOI: 10.1016/j.bmc.2014.05.038
BindingDB Entry DOI: 10.7270/Q2D79FDX
More data for this
Ligand-Target Pair
Pantothenate synthetase


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50497775
PNG
(CHEMBL3207709)
Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN4O/c1-11-15(21-9-3-2-4-14(21)19-11)16(22)20-18-10-12-5-7-13(17)8-6-12/h2-10H,1H3,(H,20,22)/b18-10+
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n/an/a 3.77E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry

Bioorg Med Chem 22: 4223-32 (2014)


Article DOI: 10.1016/j.bmc.2014.05.038
BindingDB Entry DOI: 10.7270/Q2D79FDX
More data for this
Ligand-Target Pair
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