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PubChem AID 375

Compile data set for download or QSAR
Found 148 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
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 485n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37286
PNG
(5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1
Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)
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n/an/a 807n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM34233
PNG
(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)
Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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n/an/a 1.56E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37286
PNG
(5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1
Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)
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n/an/a 1.64E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37286
PNG
(5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1
Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)
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n/an/a 1.72E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37286
PNG
(5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1
Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)
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n/an/a 1.77E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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n/an/a 2.20E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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n/an/a 2.66E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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n/an/a 2.88E+3n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37296
PNG
(MLS000087377 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-13-6-8-14(9-7-13)12-23-11-10-17(21-23)20-19(24)18-15-4-2-3-5-16(15)25-22-18/h6-11H,2-5,12H2,1H3,(H,20,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37305
PNG
(MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37293
PNG
(5-(3-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-5-7-15(8-6-14)13-26-10-9-20(24-26)23-21(27)18-12-19(28-25-18)16-3-2-4-17(22)11-16/h2-12H,13H2,1H3,(H,23,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37305
PNG
(MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37294
PNG
(MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37304
PNG
(5-(2-furanyl)-N-[1-[(4-methylphenyl)methyl]-3-pyra...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccco3)n2)cc1
Show InChI InChI=1S/C19H16N4O3/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-17(26-22-15)16-3-2-10-25-16/h2-11H,12H2,1H3,(H,20,21,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37305
PNG
(MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37307
PNG
(5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C21H17FN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37292
PNG
(MLS000087314 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37293
PNG
(5-(3-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-5-7-15(8-6-14)13-26-10-9-20(24-26)23-21(27)18-12-19(28-25-18)16-3-2-4-17(22)11-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37308
PNG
(MLS000052224 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37293
PNG
(5-(3-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-5-7-15(8-6-14)13-26-10-9-20(24-26)23-21(27)18-12-19(28-25-18)16-3-2-4-17(22)11-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37295
PNG
(MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-6-16(24)7-5-15)25-23(29)19-12-21(32-27-19)18-11-17(30-2)8-9-20(18)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37294
PNG
(MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37286
PNG
(5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1
Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37299
PNG
(MLS000087085 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-10-21(25-27(14)13-15-6-8-17(23)9-7-15)24-22(28)19-12-20(30-26-19)16-4-3-5-18(11-16)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37303
PNG
(5-tert-butyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)n2)cc1
Show InChI InChI=1S/C23H28N4O2/c1-15-5-7-16(8-6-15)14-27-12-11-20(25-27)24-22(28)21-18-13-17(23(2,3)4)9-10-19(18)29-26-21/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37304
PNG
(5-(2-furanyl)-N-[1-[(4-methylphenyl)methyl]-3-pyra...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccco3)n2)cc1
Show InChI InChI=1S/C19H16N4O3/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-17(26-22-15)16-3-2-10-25-16/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37306
PNG
(5-tert-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H...)
Show SMILES Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2CCC(Cc12)C(C)(C)C
Show InChI InChI=1S/C25H32N4O2/c1-15-9-7-8-10-18(15)14-29-17(3)22(16(2)27-29)26-24(30)23-20-13-19(25(4,5)6)11-12-21(20)31-28-23/h7-10,19H,11-14H2,1-6H3,(H,26,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37295
PNG
(MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-6-16(24)7-5-15)25-23(29)19-12-21(32-27-19)18-11-17(30-2)8-9-20(18)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37296
PNG
(MLS000087377 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-13-6-8-14(9-7-13)12-23-11-10-17(21-23)20-19(24)18-15-4-2-3-5-16(15)25-22-18/h6-11H,2-5,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37303
PNG
(5-tert-butyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)n2)cc1
Show InChI InChI=1S/C23H28N4O2/c1-15-5-7-16(8-6-15)14-27-12-11-20(25-27)24-22(28)21-18-13-17(23(2,3)4)9-10-19(18)29-26-21/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37307
PNG
(5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C21H17FN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37293
PNG
(5-(3-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-5-7-15(8-6-14)13-26-10-9-20(24-26)23-21(27)18-12-19(28-25-18)16-3-2-4-17(22)11-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37298
PNG
(MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37301
PNG
(MLS000087404 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1
Show InChI InChI=1S/C20H22N4O2/c1-14-7-9-15(10-8-14)13-24-12-11-18(22-24)21-20(25)19-16-5-3-2-4-6-17(16)26-23-19/h7-12H,2-6,13H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37306
PNG
(5-tert-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H...)
Show SMILES Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2CCC(Cc12)C(C)(C)C
Show InChI InChI=1S/C25H32N4O2/c1-15-9-7-8-10-18(15)14-29-17(3)22(16(2)27-29)26-24(30)23-20-13-19(25(4,5)6)11-12-21(20)31-28-23/h7-10,19H,11-14H2,1-6H3,(H,26,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37307
PNG
(5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C21H17FN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37296
PNG
(MLS000087377 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-13-6-8-14(9-7-13)12-23-11-10-17(21-23)20-19(24)18-15-4-2-3-5-16(15)25-22-18/h6-11H,2-5,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37299
PNG
(MLS000087085 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-10-21(25-27(14)13-15-6-8-17(23)9-7-15)24-22(28)19-12-20(30-26-19)16-4-3-5-18(11-16)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37305
PNG
(MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37294
PNG
(MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37303
PNG
(5-tert-butyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)n2)cc1
Show InChI InChI=1S/C23H28N4O2/c1-15-5-7-16(8-6-15)14-27-12-11-20(25-27)24-22(28)21-18-13-17(23(2,3)4)9-10-19(18)29-26-21/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37304
PNG
(5-(2-furanyl)-N-[1-[(4-methylphenyl)methyl]-3-pyra...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccco3)n2)cc1
Show InChI InChI=1S/C19H16N4O3/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-17(26-22-15)16-3-2-10-25-16/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37308
PNG
(MLS000052224 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37308
PNG
(MLS000052224 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37294
PNG
(MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37286
PNG
(5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1
Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37293
PNG
(5-(3-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-5-7-15(8-6-14)13-26-10-9-20(24-26)23-21(27)18-12-19(28-25-18)16-3-2-4-17(22)11-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37294
PNG
(MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37295
PNG
(MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-6-16(24)7-5-15)25-23(29)19-12-21(32-27-19)18-11-17(30-2)8-9-20(18)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37302
PNG
(MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37304
PNG
(5-(2-furanyl)-N-[1-[(4-methylphenyl)methyl]-3-pyra...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccco3)n2)cc1
Show InChI InChI=1S/C19H16N4O3/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-17(26-22-15)16-3-2-10-25-16/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37308
PNG
(MLS000052224 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37295
PNG
(MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-6-16(24)7-5-15)25-23(29)19-12-21(32-27-19)18-11-17(30-2)8-9-20(18)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37301
PNG
(MLS000087404 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1
Show InChI InChI=1S/C20H22N4O2/c1-14-7-9-15(10-8-14)13-24-12-11-18(22-24)21-20(25)19-16-5-3-2-4-6-17(16)26-23-19/h7-12H,2-6,13H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37305
PNG
(MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37298
PNG
(MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37296
PNG
(MLS000087377 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-13-6-8-14(9-7-13)12-23-11-10-17(21-23)20-19(24)18-15-4-2-3-5-16(15)25-22-18/h6-11H,2-5,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37298
PNG
(MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37301
PNG
(MLS000087404 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1
Show InChI InChI=1S/C20H22N4O2/c1-14-7-9-15(10-8-14)13-24-12-11-18(22-24)21-20(25)19-16-5-3-2-4-6-17(16)26-23-19/h7-12H,2-6,13H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37302
PNG
(MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37299
PNG
(MLS000087085 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-10-21(25-27(14)13-15-6-8-17(23)9-7-15)24-22(28)19-12-20(30-26-19)16-4-3-5-18(11-16)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37304
PNG
(5-(2-furanyl)-N-[1-[(4-methylphenyl)methyl]-3-pyra...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccco3)n2)cc1
Show InChI InChI=1S/C19H16N4O3/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-17(26-22-15)16-3-2-10-25-16/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37295
PNG
(MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-6-16(24)7-5-15)25-23(29)19-12-21(32-27-19)18-11-17(30-2)8-9-20(18)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37302
PNG
(MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37301
PNG
(MLS000087404 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1
Show InChI InChI=1S/C20H22N4O2/c1-14-7-9-15(10-8-14)13-24-12-11-18(22-24)21-20(25)19-16-5-3-2-4-6-17(16)26-23-19/h7-12H,2-6,13H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37296
PNG
(MLS000087377 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-13-6-8-14(9-7-13)12-23-11-10-17(21-23)20-19(24)18-15-4-2-3-5-16(15)25-22-18/h6-11H,2-5,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37307
PNG
(5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C21H17FN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37292
PNG
(MLS000087314 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37303
PNG
(5-tert-butyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)n2)cc1
Show InChI InChI=1S/C23H28N4O2/c1-15-5-7-16(8-6-15)14-27-12-11-20(25-27)24-22(28)21-18-13-17(23(2,3)4)9-10-19(18)29-26-21/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37307
PNG
(5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C21H17FN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37298
PNG
(MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37301
PNG
(MLS000087404 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1
Show InChI InChI=1S/C20H22N4O2/c1-14-7-9-15(10-8-14)13-24-12-11-18(22-24)21-20(25)19-16-5-3-2-4-6-17(16)26-23-19/h7-12H,2-6,13H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37302
PNG
(MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37306
PNG
(5-tert-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H...)
Show SMILES Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2CCC(Cc12)C(C)(C)C
Show InChI InChI=1S/C25H32N4O2/c1-15-9-7-8-10-18(15)14-29-17(3)22(16(2)27-29)26-24(30)23-20-13-19(25(4,5)6)11-12-21(20)31-28-23/h7-10,19H,11-14H2,1-6H3,(H,26,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37308
PNG
(MLS000052224 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37289
PNG
(MLS000087278 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O2S/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-16(26-23-15)17-3-2-8-27-17/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37299
PNG
(MLS000087085 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-10-21(25-27(14)13-15-6-8-17(23)9-7-15)24-22(28)19-12-20(30-26-19)16-4-3-5-18(11-16)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37302
PNG
(MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37304
PNG
(5-(2-furanyl)-N-[1-[(4-methylphenyl)methyl]-3-pyra...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccco3)n2)cc1
Show InChI InChI=1S/C19H16N4O3/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-17(26-22-15)16-3-2-10-25-16/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37295
PNG
(MLS000087189 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-6-16(24)7-5-15)25-23(29)19-12-21(32-27-19)18-11-17(30-2)8-9-20(18)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37307
PNG
(5-(4-fluorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(F)cc3)n2)cc1
Show InChI InChI=1S/C21H17FN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37300
PNG
(MLS000087231 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2cc(on2)-c2ccco2)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H15ClN4O3/c1-12-9-18(22-24(12)11-13-4-6-14(20)7-5-13)21-19(25)15-10-17(27-23-15)16-3-2-8-26-16/h2-10H,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37298
PNG
(MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37286
PNG
(5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1
Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37302
PNG
(MLS000087458 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4cc(C)n(Cc5ccc(Cl)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H21ClN4O3/c1-14-11-21(27-29(14)13-15-3-6-17(25)7-4-15)26-24(30)22-20-9-5-16-12-18(31-2)8-10-19(16)23(20)32-28-22/h3-4,6-8,10-12H,5,9,13H2,1-2H3,(H,26,27,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37286
PNG
(5-tert-butyl-N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1
Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37299
PNG
(MLS000087085 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-10-21(25-27(14)13-15-6-8-17(23)9-7-15)24-22(28)19-12-20(30-26-19)16-4-3-5-18(11-16)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37301
PNG
(MLS000087404 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCCc34)n2)cc1
Show InChI InChI=1S/C20H22N4O2/c1-14-7-9-15(10-8-14)13-24-12-11-18(22-24)21-20(25)19-16-5-3-2-4-6-17(16)26-23-19/h7-12H,2-6,13H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37306
PNG
(5-tert-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H...)
Show SMILES Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2CCC(Cc12)C(C)(C)C
Show InChI InChI=1S/C25H32N4O2/c1-15-9-7-8-10-18(15)14-29-17(3)22(16(2)27-29)26-24(30)23-20-13-19(25(4,5)6)11-12-21(20)31-28-23/h7-10,19H,11-14H2,1-6H3,(H,26,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37292
PNG
(MLS000087314 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37293
PNG
(5-(3-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccc(Cl)c3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-5-7-15(8-6-14)13-26-10-9-20(24-26)23-21(27)18-12-19(28-25-18)16-3-2-4-17(22)11-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37305
PNG
(MLS000087114 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-11-21(25-27(14)13-15-7-9-16(23)10-8-15)24-22(28)18-12-20(30-26-18)17-5-3-4-6-19(17)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37290
PNG
(5-(4-bromophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C21H17BrN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37292
PNG
(MLS000087314 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37292
PNG
(MLS000087314 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37303
PNG
(5-tert-butyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)n2)cc1
Show InChI InChI=1S/C23H28N4O2/c1-15-5-7-16(8-6-15)14-27-12-11-20(25-27)24-22(28)21-18-13-17(23(2,3)4)9-10-19(18)29-26-21/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM30881
PNG
(5-tert-butyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl...)
Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1
Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37308
PNG
(MLS000052224 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C21H18N4O2/c1-15-7-9-16(10-8-15)14-25-12-11-20(23-25)22-21(26)18-13-19(27-24-18)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37292
PNG
(MLS000087314 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C16H15ClN4O2/c1-10-7-15(18-16(22)14-8-11(2)23-20-14)19-21(10)9-12-3-5-13(17)6-4-12/h3-8H,9H2,1-2H3,(H,18,19,22)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37298
PNG
(MLS000087406 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN4O2/c1-13-11-18(23-25(13)12-14-7-9-15(21)10-8-14)22-20(26)19-16-5-3-2-4-6-17(16)27-24-19/h7-11H,2-6,12H2,1H3,(H,22,23,26)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37303
PNG
(5-tert-butyl-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)n2)cc1
Show InChI InChI=1S/C23H28N4O2/c1-15-5-7-16(8-6-15)14-27-12-11-20(25-27)24-22(28)21-18-13-17(23(2,3)4)9-10-19(18)29-26-21/h5-8,11-12,17H,9-10,13-14H2,1-4H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37306
PNG
(5-tert-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H...)
Show SMILES Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2CCC(Cc12)C(C)(C)C
Show InChI InChI=1S/C25H32N4O2/c1-15-9-7-8-10-18(15)14-29-17(3)22(16(2)27-29)26-24(30)23-20-13-19(25(4,5)6)11-12-21(20)31-28-23/h7-10,19H,11-14H2,1-6H3,(H,26,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37294
PNG
(MLS000087378 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES Cc1cc(NC(=O)c2noc3CCCCc23)nn1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C19H19ClN4O2/c1-12-10-17(22-24(12)11-13-6-8-14(20)9-7-13)21-19(25)18-15-4-2-3-5-16(15)26-23-18/h6-10H,2-5,11H2,1H3,(H,21,22,25)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37287
PNG
(MLS000087275 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3cccs3)n2)cc1
Show InChI InChI=1S/C19H16N4O2S/c1-13-4-6-14(7-5-13)12-23-9-8-18(21-23)20-19(24)15-11-16(25-22-15)17-3-2-10-26-17/h2-11H,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37296
PNG
(MLS000087377 | N-[1-(4-methylbenzyl)-1H-pyrazol-3-...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3noc4CCCCc34)n2)cc1
Show InChI InChI=1S/C19H20N4O2/c1-13-6-8-14(9-7-13)12-23-11-10-17(21-23)20-19(24)18-15-4-2-3-5-16(15)25-22-18/h6-11H,2-5,12H2,1H3,(H,20,21,24)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37299
PNG
(MLS000087085 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C22H19ClN4O3/c1-14-10-21(25-27(14)13-15-6-8-17(23)9-7-15)24-22(28)19-12-20(30-26-19)16-4-3-5-18(11-16)29-2/h3-12H,13H2,1-2H3,(H,24,25,28)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37288
PNG
(5-(4-chlorophenyl)-N-[1-(4-methylbenzyl)-1H-pyrazo...)
Show SMILES Cc1ccc(Cn2ccc(NC(=O)c3cc(on3)-c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37297
PNG
(7-methoxy-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccn(Cc5ccc(C)cc5)n4)c3CCc2c1
Show InChI InChI=1S/C24H22N4O3/c1-15-3-5-16(6-4-15)14-28-12-11-21(26-28)25-24(29)22-20-9-7-17-13-18(30-2)8-10-19(17)23(20)31-27-22/h3-6,8,10-13H,7,9,14H2,1-2H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37291
PNG
(MLS000087136 | N-[1-(4-chlorobenzyl)-5-methyl-1H-p...)
Show SMILES COc1ccc(cc1OC)-c1cc(no1)C(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C23H21ClN4O4/c1-14-10-22(26-28(14)13-15-4-7-17(24)8-5-15)25-23(29)18-12-20(32-27-18)16-6-9-19(30-2)21(11-16)31-3/h4-12H,13H2,1-3H3,(H,25,26,29)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM37306
PNG
(5-tert-butyl-N-[3,5-dimethyl-1-(2-methylbenzyl)-1H...)
Show SMILES Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1noc2CCC(Cc12)C(C)(C)C
Show InChI InChI=1S/C25H32N4O2/c1-15-9-7-8-10-18(15)14-29-17(3)22(16(2)27-29)26-24(30)23-20-13-19(25(4,5)6)11-12-21(20)31-28-23/h7-10,19H,11-14H2,1-6H3,(H,26,30)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2006)


BindingDB Entry DOI: 10.7270/Q2TM78HZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%