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PubChem AID 1028

Compile data set for download or QSAR
Found 28 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
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45749
PNG
(2-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,2-...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H18N2O3S2/c1-13-8-9-14(12-17(13)25(22,23)19-10-4-5-11-19)20-18(21)15-6-2-3-7-16(15)24-20/h2-3,6-9,12H,4-5,10-11H2,1H3
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n/an/a 235n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45755
PNG
(AB00540084 | N-(2-furanylmethyl)-4-(3-oxo-1,2-benz...)
Show SMILES O=C(NCc1ccco1)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H14N2O3S/c22-18(20-12-15-4-3-11-24-15)13-7-9-14(10-8-13)21-19(23)16-5-1-2-6-17(16)25-21/h1-11H,12H2,(H,20,22)
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n/an/a 341n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45751
PNG
(4-(3-keto-1,2-benzothiazol-2-yl)-N-propyl-benzamid...)
Show SMILES CCCNC(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H16N2O2S/c1-2-11-18-16(20)12-7-9-13(10-8-12)19-17(21)14-5-3-4-6-15(14)22-19/h3-10H,2,11H2,1H3,(H,18,20)
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n/an/a 371n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45773
PNG
(3-(3-oxidanylidene-1,2-benzothiazol-2-yl)-N-(pheny...)
Show SMILES O=C(NCc1ccccc1)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C21H16N2O2S/c24-20(22-14-15-7-2-1-3-8-15)16-9-6-10-17(13-16)23-21(25)18-11-4-5-12-19(18)26-23/h1-13H,14H2,(H,22,24)
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n/an/a 465n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45776
PNG
(2-(3-oxidanylidene-1,2-benzothiazol-2-yl)-N-(pheny...)
Show SMILES O=C(NCc1ccccc1)c1ccccc1-n1sc2ccccc2c1=O
Show InChI InChI=1S/C21H16N2O2S/c24-20(22-14-15-8-2-1-3-9-15)16-10-4-6-12-18(16)23-21(25)17-11-5-7-13-19(17)26-23/h1-13H,14H2,(H,22,24)
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n/an/a 605n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45752
PNG
(2-(4-pyrrolidin-1-ylcarbonylphenyl)-1,2-benzothiaz...)
Show SMILES O=C(N1CCCC1)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H16N2O2S/c21-17(19-11-3-4-12-19)13-7-9-14(10-8-13)20-18(22)15-5-1-2-6-16(15)23-20/h1-2,5-10H,3-4,11-12H2
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n/an/a 629n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45750
PNG
(4-(3-oxidanylidene-1,2-benzothiazol-2-yl)-N-(pheny...)
Show SMILES O=C(NCc1ccccc1)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C21H16N2O2S/c24-20(22-14-15-6-2-1-3-7-15)16-10-12-17(13-11-16)23-21(25)18-8-4-5-9-19(18)26-23/h1-13H,14H2,(H,22,24)
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n/an/a 734n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45763
PNG
(AB00540124 | N-(cyclopropylmethyl)-4-(3-keto-1,2-b...)
Show SMILES O=C(NCC1CC1)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H16N2O2S/c21-17(19-11-12-5-6-12)13-7-9-14(10-8-13)20-18(22)15-3-1-2-4-16(15)23-20/h1-4,7-10,12H,5-6,11H2,(H,19,21)
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n/an/a 748n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45756
PNG
(2-(4-piperidin-1-ylcarbonylphenyl)-1,2-benzothiazo...)
Show SMILES O=C(N1CCCCC1)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H18N2O2S/c22-18(20-12-4-1-5-13-20)14-8-10-15(11-9-14)21-19(23)16-6-2-3-7-17(16)24-21/h2-3,6-11H,1,4-5,12-13H2
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n/an/a 749n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45761
PNG
(4-(3-keto-1,2-benzothiazol-2-yl)-N,N-dipropyl-benz...)
Show SMILES CCCN(CCC)C(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H22N2O2S/c1-3-13-21(14-4-2)19(23)15-9-11-16(12-10-15)22-20(24)17-7-5-6-8-18(17)25-22/h5-12H,3-4,13-14H2,1-2H3
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n/an/a 823n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45754
PNG
(2-(4-morpholin-4-ylcarbonylphenyl)-1,2-benzothiazo...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H16N2O3S/c21-17(19-9-11-23-12-10-19)13-5-7-14(8-6-13)20-18(22)15-3-1-2-4-16(15)24-20/h1-8H,9-12H2
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n/an/a 846n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45764
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N-propyl-benzamid...)
Show SMILES CCCNC(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H16N2O2S/c1-2-10-18-16(20)12-6-5-7-13(11-12)19-17(21)14-8-3-4-9-15(14)22-19/h3-9,11H,2,10H2,1H3,(H,18,20)
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n/an/a 940n/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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45771
PNG
(AB00540132 | N-(2-furanylmethyl)-3-(3-oxo-1,2-benz...)
Show SMILES O=C(NCc1ccco1)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H14N2O3S/c22-18(20-12-15-7-4-10-24-15)13-5-3-6-14(11-13)21-19(23)16-8-1-2-9-17(16)25-21/h1-11H,12H2,(H,20,22)
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n/an/a 1.01E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45753
PNG
(AB00540082 | N-cyclopropyl-4-(3-keto-1,2-benzothia...)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H14N2O2S/c20-16(18-12-7-8-12)11-5-9-13(10-6-11)19-17(21)14-3-1-2-4-15(14)22-19/h1-6,9-10,12H,7-8H2,(H,18,20)
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n/an/a 1.23E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45757
PNG
(AB00540089 | N,N-diethyl-4-(3-keto-1,2-benzothiazo...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H18N2O2S/c1-3-19(4-2)17(21)13-9-11-14(12-10-13)20-18(22)15-7-5-6-8-16(15)23-20/h5-12H,3-4H2,1-2H3
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n/an/a 1.27E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45765
PNG
(2-(3-piperidin-1-ylcarbonylphenyl)-1,2-benzothiazo...)
Show SMILES O=C(N1CCCCC1)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H18N2O2S/c22-18(20-11-4-1-5-12-20)14-7-6-8-15(13-14)21-19(23)16-9-2-3-10-17(16)24-21/h2-3,6-10,13H,1,4-5,11-12H2
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n/an/a 1.43E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45770
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dipropyl-benz...)
Show SMILES CCCN(CCC)C(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H22N2O2S/c1-3-12-21(13-4-2)19(23)15-8-7-9-16(14-15)22-20(24)17-10-5-6-11-18(17)25-22/h5-11,14H,3-4,12-13H2,1-2H3
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n/an/a 1.89E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45766
PNG
(2-(3-pyrrolidin-1-ylcarbonylphenyl)-1,2-benzothiaz...)
Show SMILES O=C(N1CCCC1)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H16N2O2S/c21-17(19-10-3-4-11-19)13-6-5-7-14(12-13)20-18(22)15-8-1-2-9-16(15)23-20/h1-2,5-9,12H,3-4,10-11H2
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n/an/a 2.25E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45768
PNG
(AB00540129 | N-cyclopropyl-3-(3-keto-1,2-benzothia...)
Show SMILES O=C(NC1CC1)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H14N2O2S/c20-16(18-12-8-9-12)11-4-3-5-13(10-11)19-17(21)14-6-1-2-7-15(14)22-19/h1-7,10,12H,8-9H2,(H,18,20)
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n/an/a 2.27E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45762
PNG
(2-[4-(4-methylpiperazin-1-yl)carbonylphenyl]-1,2-b...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H19N3O2S/c1-20-10-12-21(13-11-20)18(23)14-6-8-15(9-7-14)22-19(24)16-4-2-3-5-17(16)25-22/h2-9H,10-13H2,1H3
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n/an/a 2.45E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45774
PNG
(2-(3-keto-1,2-benzothiazol-2-yl)-N-propyl-benzamid...)
Show SMILES CCCNC(=O)c1ccccc1-n1sc2ccccc2c1=O
Show InChI InChI=1S/C17H16N2O2S/c1-2-11-18-16(20)12-7-3-5-9-14(12)19-17(21)13-8-4-6-10-15(13)22-19/h3-10H,2,11H2,1H3,(H,18,20)
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n/an/a 2.63E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45772
PNG
(3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)C(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-17(2)15(19)11-6-5-7-12(10-11)18-16(20)13-8-3-4-9-14(13)21-18/h3-10H,1-2H3
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n/an/a 2.63E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45769
PNG
(AB00540130 | N,N-diethyl-3-(3-keto-1,2-benzothiazo...)
Show SMILES CCN(CC)C(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H18N2O2S/c1-3-19(4-2)17(21)13-8-7-9-14(12-13)20-18(22)15-10-5-6-11-16(15)23-20/h5-12H,3-4H2,1-2H3
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UniProtKB/TrEMBL

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n/an/a 2.77E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45759
PNG
(4-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benz...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C16H14N2O2S/c1-17(2)15(19)11-7-9-12(10-8-11)18-16(20)13-5-3-4-6-14(13)21-18/h3-10H,1-2H3
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UniProtKB/TrEMBL

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n/an/a 2.85E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45760
PNG
(2-(4-methyl-3-piperidin-1-ylcarbonyl-phenyl)-1,2-b...)
Show SMILES Cc1ccc(cc1C(=O)N1CCCCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H20N2O2S/c1-14-9-10-15(13-17(14)19(23)21-11-5-2-6-12-21)22-20(24)16-7-3-4-8-18(16)25-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3
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UniProtKB/TrEMBL

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n/an/a 2.97E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45767
PNG
(2-(3-morpholin-4-ylcarbonylphenyl)-1,2-benzothiazo...)
Show SMILES O=C(N1CCOCC1)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C18H16N2O3S/c21-17(19-8-10-23-11-9-19)13-4-3-5-14(12-13)20-18(22)15-6-1-2-7-16(15)24-20/h1-7,12H,8-11H2
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n/an/a 3.14E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45775
PNG
(AB00575575 | N-(2-furanylmethyl)-2-(3-oxo-1,2-benz...)
Show SMILES O=C(NCc1ccco1)c1ccccc1-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H14N2O3S/c22-18(20-12-13-6-5-11-24-13)14-7-1-3-9-16(14)21-19(23)15-8-2-4-10-17(15)25-21/h1-11H,12H2,(H,20,22)
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UniProtKB/TrEMBL

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n/an/a 5.09E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM45758
PNG
(4-(3-keto-1,2-benzothiazol-2-yl)-N-(2-pyrrolidinoe...)
Show SMILES O=C(NCCN1CCCC1)c1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H21N3O2S/c24-19(21-11-14-22-12-3-4-13-22)15-7-9-16(10-8-15)23-20(25)17-5-1-2-6-18(17)26-23/h1-2,5-10H,3-4,11-14H2,(H,21,24)
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n/an/a 5.26E+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...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2HD7T3B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%