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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Pantothenate synthetase' and Ligand = 'BDBM37289'   
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
Pantothenate synthetase


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Pantothenate synthetase


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Pantothenate synthetase


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Pantothenate synthetase


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Pantothenate synthetase


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
Pantothenate synthetase


(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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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