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Found 7 hits Enz. Inhib. hit(s) with Target = 'Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group' and Ligand = 'BDBM30881'   
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...)
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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PCBioAssay
n/an/a 0.150n/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 (2007)


BindingDB Entry DOI: 10.7270/Q2FX77T8
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)
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
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)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
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UniChem

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PCBioAssay
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...)
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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...)
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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...)
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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