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Compile Data Set for Download or QSAR

Found 348 hits of Enz. Inhib. data with enzyme = 'diphosphomevalonate decarboxylase' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
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 513n/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/Q2N014XN
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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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

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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

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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)
BDBM38366
PNG
(2-(4-piperidin-1-ylsulfonylphenyl)-1,2-benzothiazo...)
Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C18H18N2O3S2/c21-18-16-6-2-3-7-17(16)24-20(18)14-8-10-15(11-9-14)25(22,23)19-12-4-1-5-13-19/h2-3,6-11H,1,4-5,12-13H2
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n/an/a 2.15E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
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

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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)
BDBM30857
PNG
(2-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-4-methy...)
Show SMILES CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
Show InChI InChI=1S/C15H15N3O3S2/c1-4-21-13(19)12-8(2)16-14(23-12)18-15-17-11-9(20-3)6-5-7-10(11)22-15/h5-7H,4H2,1-3H3,(H,16,17,18)
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n/an/a 2.35E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
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)
BDBM38361
PNG
(2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-benzothiaz...)
Show SMILES O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H16N2O3S2/c20-17-15-5-1-2-6-16(15)23-19(17)13-7-9-14(10-8-13)24(21,22)18-11-3-4-12-18/h1-2,5-10H,3-4,11-12H2
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n/an/a 2.65E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
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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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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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)
BDBM50318909
PNG
(CHEMBL1083384 | cid_2794 | clofazimine)
Show SMILES CC(C)\N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1
Show InChI InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24-
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n/an/a 2.89E+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 C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
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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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)
BDBM34340
PNG
(2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1,2-b...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C19H20N2O3S2/c1-14-9-10-15(21-19(22)16-7-3-4-8-17(16)25-21)13-18(14)26(23,24)20-11-5-2-6-12-20/h3-4,7-10,13H,2,5-6,11-12H2,1H3
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n/an/a 3.73E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM31044
PNG
(1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3
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n/an/a 4.73E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
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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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
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38276
PNG
(2-(2,5-Dimethyl-phenyl)-benzooxazol-5-ylamine | 2-...)
Show SMILES Cc1ccc(C)c(c1)-c1nc2cc(N)ccc2o1
Show InChI InChI=1S/C15H14N2O/c1-9-3-4-10(2)12(7-9)15-17-13-8-11(16)5-6-14(13)18-15/h3-8H,16H2,1-2H3
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n/an/a 6.06E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM37694
PNG
(5-(2,4-dimethoxyphenyl)-N-(4-methoxy-1,3-benzothia...)
Show SMILES COc1ccc(-c2nnc(Nc3nc4c(OC)cccc4s3)o2)c(OC)c1
Show InChI InChI=1S/C18H16N4O4S/c1-23-10-7-8-11(13(9-10)25-3)16-21-22-17(26-16)20-18-19-15-12(24-2)5-4-6-14(15)27-18/h4-9H,1-3H3,(H,19,20,22)
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n/an/a 6.62E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM29632
PNG
(2-[2-(3-keto-1,2-benzothiazol-2-yl)thiazol-4-yl]ac...)
Show SMILES CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H12N2O3S2/c1-2-19-12(17)7-9-8-20-14(15-9)16-13(18)10-5-3-4-6-11(10)21-16/h3-6,8H,2,7H2,1H3
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n/an/a 7.58E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38438
PNG
(3-amino-4-(4-methoxyphenyl)-N-(5-methyl-3-isoxazol...)
Show SMILES COc1ccc(cc1)-c1c2CCCc2nc2sc(C(=O)Nc3cc(C)on3)c(N)c12
Show InChI InChI=1S/C22H20N4O3S/c1-11-10-16(26-29-11)25-21(27)20-19(23)18-17(12-6-8-13(28-2)9-7-12)14-4-3-5-15(14)24-22(18)30-20/h6-10H,3-5,23H2,1-2H3,(H,25,26,27)
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n/an/a 8.33E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM32096
PNG
((6-phenyl-4,5-dihydropyrazolo[4,3-e][1,3]benzothia...)
Show SMILES Nc1nc-2c(CCc3c-2cnn3-c2ccccc2)s1
Show InChI InChI=1S/C14H12N4S/c15-14-17-13-10-8-16-18(9-4-2-1-3-5-9)11(10)6-7-12(13)19-14/h1-5,8H,6-7H2,(H2,15,17)
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n/an/a 9.51E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38268
PNG
(2-[5-(6-methyl-1H-benzimidazol-2-yl)pyridin-2-yl]s...)
Show SMILES Cc1ccc2nc([nH]c2c1)-c1ccc(SCC(O)=O)nc1
Show InChI InChI=1S/C15H13N3O2S/c1-9-2-4-11-12(6-9)18-15(17-11)10-3-5-13(16-7-10)21-8-14(19)20/h2-7H,8H2,1H3,(H,17,18)(H,19,20)
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n/an/a 9.87E+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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38311
PNG
(3,3-dimethyl-6-(2-oxolanylmethylamino)-8-propan-2-...)
Show SMILES CC(C)c1nc(NCC2CCCO2)c(C#N)c2CC(C)(C)OCc12
Show InChI InChI=1S/C19H27N3O2/c1-12(2)17-16-11-24-19(3,4)8-14(16)15(9-20)18(22-17)21-10-13-6-5-7-23-13/h12-13H,5-8,10-11H2,1-4H3,(H,21,22)
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n/an/a 9.97E+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 C...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38245
PNG
(2-(2-methylphenyl)-1,3-benzoxazol-5-amine | 2-o-To...)
Show SMILES Cc1ccccc1-c1nc2cc(N)ccc2o1
Show InChI InChI=1S/C14H12N2O/c1-9-4-2-3-5-11(9)14-16-12-8-10(15)6-7-13(12)17-14/h2-8H,15H2,1H3
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n/an/a 1.01E+4n/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/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38402
PNG
(1-[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl...)
Show SMILES FC(F)(F)c1cc(nc(n1)-n1nnc2ccccc12)-c1ccco1
Show InChI InChI=1S/C15H8F3N5O/c16-15(17,18)13-8-10(12-6-3-7-24-12)19-14(20-13)23-11-5-2-1-4-9(11)21-22-23/h1-8H
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n/an/a 1.12E+4n/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/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38346
PNG
(2,8,10-trimethyl-4-(4-phenyl-1-piperazinyl)pyrido[...)
Show SMILES Cc1cc(C)c2c(nn3c(cc(C)nc23)N2CCN(CC2)c2ccccc2)n1
Show InChI InChI=1S/C22H24N6/c1-15-13-16(2)23-21-20(15)22-24-17(3)14-19(28(22)25-21)27-11-9-26(10-12-27)18-7-5-4-6-8-18/h4-8,13-14H,9-12H2,1-3H3
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n/an/a 1.27E+4n/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/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38431
PNG
(6-methoxy-N-(2-thenyl)furo[2,3-b]quinoline-2-carbo...)
Show SMILES COc1ccc2nc3oc(cc3cc2c1)C(=O)NCc1cccs1
Show InChI InChI=1S/C18H14N2O3S/c1-22-13-4-5-15-11(8-13)7-12-9-16(23-18(12)20-15)17(21)19-10-14-3-2-6-24-14/h2-9H,10H2,1H3,(H,19,21)
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n/an/a 1.39E+4n/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/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38271
PNG
(3-Cyclohexyl-1-(7-oxo-2,3,6,7-tetrahydro-[1,4]diox...)
Show SMILES O=C(NC1CCCCC1)N(CCN1CCCC1)Cc1cc2cc3OCCOc3cc2[nH]c1=O
Show InChI InChI=1S/C25H34N4O4/c30-24-19(14-18-15-22-23(16-21(18)27-24)33-13-12-32-22)17-29(11-10-28-8-4-5-9-28)25(31)26-20-6-2-1-3-7-20/h14-16,20H,1-13,17H2,(H,26,31)(H,27,30)
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n/an/a 1.50E+4n/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/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38403
PNG
(3-(3-chloranyl-4-methoxy-phenyl)-N-(furan-2-ylmeth...)
Show SMILES COc1ccc(cc1Cl)-n1nc(C(=O)NCc2ccco2)c2c3ccccc3n(C)c2c1=O
Show InChI InChI=1S/C24H19ClN4O4/c1-28-18-8-4-3-7-16(18)20-21(23(30)26-13-15-6-5-11-33-15)27-29(24(31)22(20)28)14-9-10-19(32-2)17(25)12-14/h3-12H,13H2,1-2H3,(H,26,30)
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n/an/a 1.51E+4n/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/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM38427
PNG
(2-isonicotinoylimino-1-isopropyl-5-keto-dipyrido[1...)
Show SMILES CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(C(C)C)\c1=N/C(=O)c1ccncc1
Show InChI InChI=1S/C23H21N5O4/c1-4-32-23(31)17-13-16-19(25-18-7-5-6-12-27(18)22(16)30)28(14(2)3)20(17)26-21(29)15-8-10-24-11-9-15/h5-14H,4H2,1-3H3/b26-20-
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n/an/a 1.52E+4n/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/Q2N014XN
More data for this
Ligand-Target Pair
diphosphomevalonate decarboxylase


(Streptococcus pneumoniae D39)
BDBM34336
PNG
(2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-pheny...)
Show SMILES O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O5S2/c25-21-17-3-1-2-4-20(17)30-24(21)19-15-16(31(26,27)23-9-13-29-14-10-23)5-6-18(19)22-7-11-28-12-8-22/h1-6,15H,7-14H2
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n/an/a 1.54E+4n/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/Q2N014XN
More data for this
Ligand-Target Pair
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