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Compile Data Set for Download or QSAR

Found 840 hits of ic50 for UniProtKB: A0A0H2ZR70   
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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38015
PNG
(2-(3-Chloro-4-fluoro-phenylcarbamoyl)-cyclohex-1-e...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H13ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7H,1-4H2,(H,17,18)(H,19,20)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38015
PNG
(2-(3-Chloro-4-fluoro-phenylcarbamoyl)-cyclohex-1-e...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H13ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7H,1-4H2,(H,17,18)(H,19,20)
PDB
MMDB

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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38015
PNG
(2-(3-Chloro-4-fluoro-phenylcarbamoyl)-cyclohex-1-e...)
Show SMILES OC(=O)C1=C(CCCC1)C(=O)Nc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C14H13ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h5-7H,1-4H2,(H,17,18)(H,19,20)
PDB
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38081
PNG
(2-methylpropyl N-[[2-(4-chlorophenyl)-1,3-bis(oxid...)
Show SMILES CC(C)COC(=O)NCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O5/c1-11(2)9-27-19(26)22-10-20-8-7-14(28-20)15-16(20)18(25)23(17(15)24)13-5-3-12(21)4-6-13/h3-8,11,14,24-25H,9-10H2,1-2H3,(H,22,26)
PDB
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38081
PNG
(2-methylpropyl N-[[2-(4-chlorophenyl)-1,3-bis(oxid...)
Show SMILES CC(C)COC(=O)NCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O5/c1-11(2)9-27-19(26)22-10-20-8-7-14(28-20)15-16(20)18(25)23(17(15)24)13-5-3-12(21)4-6-13/h3-8,11,14,24-25H,9-10H2,1-2H3,(H,22,26)
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38081
PNG
(2-methylpropyl N-[[2-(4-chlorophenyl)-1,3-bis(oxid...)
Show SMILES CC(C)COC(=O)NCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClN2O5/c1-11(2)9-27-19(26)22-10-20-8-7-14(28-20)15-16(20)18(25)23(17(15)24)13-5-3-12(21)4-6-13/h3-8,11,14,24-25H,9-10H2,1-2H3,(H,22,26)
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38123
PNG
(1-cyclooctyl-4-(4-methoxyphenyl)sulfonyl-piperazin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C19H30N2O3S/c1-24-18-9-11-19(12-10-18)25(22,23)21-15-13-20(14-16-21)17-7-5-3-2-4-6-8-17/h9-12,17H,2-8,13-16H2,1H3
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38123
PNG
(1-cyclooctyl-4-(4-methoxyphenyl)sulfonyl-piperazin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C19H30N2O3S/c1-24-18-9-11-19(12-10-18)25(22,23)21-15-13-20(14-16-21)17-7-5-3-2-4-6-8-17/h9-12,17H,2-8,13-16H2,1H3
PDB
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38123
PNG
(1-cyclooctyl-4-(4-methoxyphenyl)sulfonyl-piperazin...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C1CCCCCCC1
Show InChI InChI=1S/C19H30N2O3S/c1-24-18-9-11-19(12-10-18)25(22,23)21-15-13-20(14-16-21)17-7-5-3-2-4-6-8-17/h9-12,17H,2-8,13-16H2,1H3
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38076
PNG
(1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]t...)
Show SMILES O=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1
Show InChI InChI=1S/C15H11N3O2S2/c19-14(7-10-8-18-5-6-21-15(18)16-10)20-9-13-17-11-3-1-2-4-12(11)22-13/h1-6,8H,7,9H2
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38076
PNG
(1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]t...)
Show SMILES O=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1
Show InChI InChI=1S/C15H11N3O2S2/c19-14(7-10-8-18-5-6-21-15(18)16-10)20-9-13-17-11-3-1-2-4-12(11)22-13/h1-6,8H,7,9H2
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38076
PNG
(1,3-benzothiazol-2-ylmethyl 2-imidazo[2,1-b][1,3]t...)
Show SMILES O=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1
Show InChI InChI=1S/C15H11N3O2S2/c19-14(7-10-8-18-5-6-21-15(18)16-10)20-9-13-17-11-3-1-2-4-12(11)22-13/h1-6,8H,7,9H2
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38013
PNG
(3-[4-(2-Fluoro-phenyl)-piperazine-1-carbonyl]-8-me...)
Show SMILES COc1cccc2cc(C(=O)N3CCN(CC3)c3ccccc3F)c(=O)oc12
Show InChI InChI=1S/C21H19FN2O4/c1-27-18-8-4-5-14-13-15(21(26)28-19(14)18)20(25)24-11-9-23(10-12-24)17-7-3-2-6-16(17)22/h2-8,13H,9-12H2,1H3
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38013
PNG
(3-[4-(2-Fluoro-phenyl)-piperazine-1-carbonyl]-8-me...)
Show SMILES COc1cccc2cc(C(=O)N3CCN(CC3)c3ccccc3F)c(=O)oc12
Show InChI InChI=1S/C21H19FN2O4/c1-27-18-8-4-5-14-13-15(21(26)28-19(14)18)20(25)24-11-9-23(10-12-24)17-7-3-2-6-16(17)22/h2-8,13H,9-12H2,1H3
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38013
PNG
(3-[4-(2-Fluoro-phenyl)-piperazine-1-carbonyl]-8-me...)
Show SMILES COc1cccc2cc(C(=O)N3CCN(CC3)c3ccccc3F)c(=O)oc12
Show InChI InChI=1S/C21H19FN2O4/c1-27-18-8-4-5-14-13-15(21(26)28-19(14)18)20(25)24-11-9-23(10-12-24)17-7-3-2-6-16(17)22/h2-8,13H,9-12H2,1H3
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38092
PNG
(MLS000047244 | N-(4-{5-[(2-chlorophenoxy)methyl]-1...)
Show SMILES Clc1ccccc1OCc1nc(no1)-c1ccc(NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C20H14ClN3O4/c21-15-4-1-2-5-16(15)27-12-18-23-19(24-28-18)13-7-9-14(10-8-13)22-20(25)17-6-3-11-26-17/h1-11H,12H2,(H,22,25)
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38092
PNG
(MLS000047244 | N-(4-{5-[(2-chlorophenoxy)methyl]-1...)
Show SMILES Clc1ccccc1OCc1nc(no1)-c1ccc(NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C20H14ClN3O4/c21-15-4-1-2-5-16(15)27-12-18-23-19(24-28-18)13-7-9-14(10-8-13)22-20(25)17-6-3-11-26-17/h1-11H,12H2,(H,22,25)
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38092
PNG
(MLS000047244 | N-(4-{5-[(2-chlorophenoxy)methyl]-1...)
Show SMILES Clc1ccccc1OCc1nc(no1)-c1ccc(NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C20H14ClN3O4/c21-15-4-1-2-5-16(15)27-12-18-23-19(24-28-18)13-7-9-14(10-8-13)22-20(25)17-6-3-11-26-17/h1-11H,12H2,(H,22,25)
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37999
PNG
(2-Methoxy-N-methyl-N-[5-(5-methyl-pyrazin-2-yl)-[1...)
Show SMILES COCC(=O)N(C)c1nnc(s1)-c1cnc(C)cn1
Show InChI InChI=1S/C11H13N5O2S/c1-7-4-13-8(5-12-7)10-14-15-11(19-10)16(2)9(17)6-18-3/h4-5H,6H2,1-3H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37999
PNG
(2-Methoxy-N-methyl-N-[5-(5-methyl-pyrazin-2-yl)-[1...)
Show SMILES COCC(=O)N(C)c1nnc(s1)-c1cnc(C)cn1
Show InChI InChI=1S/C11H13N5O2S/c1-7-4-13-8(5-12-7)10-14-15-11(19-10)16(2)9(17)6-18-3/h4-5H,6H2,1-3H3
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37999
PNG
(2-Methoxy-N-methyl-N-[5-(5-methyl-pyrazin-2-yl)-[1...)
Show SMILES COCC(=O)N(C)c1nnc(s1)-c1cnc(C)cn1
Show InChI InChI=1S/C11H13N5O2S/c1-7-4-13-8(5-12-7)10-14-15-11(19-10)16(2)9(17)6-18-3/h4-5H,6H2,1-3H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37978
PNG
(1-(5-Chloro-2-methyl-phenyl)-4-{[1-(4-methoxy-benz...)
Show SMILES COc1ccc(Cn2nnnc2C(N2CCN(CC2)c2cc(Cl)ccc2C)c2ccccn2)cc1
Show InChI InChI=1S/C26H28ClN7O/c1-19-6-9-21(27)17-24(19)32-13-15-33(16-14-32)25(23-5-3-4-12-28-23)26-29-30-31-34(26)18-20-7-10-22(35-2)11-8-20/h3-12,17,25H,13-16,18H2,1-2H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37978
PNG
(1-(5-Chloro-2-methyl-phenyl)-4-{[1-(4-methoxy-benz...)
Show SMILES COc1ccc(Cn2nnnc2C(N2CCN(CC2)c2cc(Cl)ccc2C)c2ccccn2)cc1
Show InChI InChI=1S/C26H28ClN7O/c1-19-6-9-21(27)17-24(19)32-13-15-33(16-14-32)25(23-5-3-4-12-28-23)26-29-30-31-34(26)18-20-7-10-22(35-2)11-8-20/h3-12,17,25H,13-16,18H2,1-2H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37978
PNG
(1-(5-Chloro-2-methyl-phenyl)-4-{[1-(4-methoxy-benz...)
Show SMILES COc1ccc(Cn2nnnc2C(N2CCN(CC2)c2cc(Cl)ccc2C)c2ccccn2)cc1
Show InChI InChI=1S/C26H28ClN7O/c1-19-6-9-21(27)17-24(19)32-13-15-33(16-14-32)25(23-5-3-4-12-28-23)26-29-30-31-34(26)18-20-7-10-22(35-2)11-8-20/h3-12,17,25H,13-16,18H2,1-2H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38112
PNG
(4-(1-pyrrolidinosulfonylisonipecotoyl)piperazine-1...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H30N4O5S/c1-2-26-17(23)19-13-11-18(12-14-19)16(22)15-5-9-21(10-6-15)27(24,25)20-7-3-4-8-20/h15H,2-14H2,1H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38112
PNG
(4-(1-pyrrolidinosulfonylisonipecotoyl)piperazine-1...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H30N4O5S/c1-2-26-17(23)19-13-11-18(12-14-19)16(22)15-5-9-21(10-6-15)27(24,25)20-7-3-4-8-20/h15H,2-14H2,1H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38112
PNG
(4-(1-pyrrolidinosulfonylisonipecotoyl)piperazine-1...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C17H30N4O5S/c1-2-26-17(23)19-13-11-18(12-14-19)16(22)15-5-9-21(10-6-15)27(24,25)20-7-3-4-8-20/h15H,2-14H2,1H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38091
PNG
(1-esyl-N-(3-ethoxypropyl)isonipecotamide | MLS0000...)
Show SMILES CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)CC
Show InChI InChI=1S/C13H26N2O4S/c1-3-19-11-5-8-14-13(16)12-6-9-15(10-7-12)20(17,18)4-2/h12H,3-11H2,1-2H3,(H,14,16)
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38091
PNG
(1-esyl-N-(3-ethoxypropyl)isonipecotamide | MLS0000...)
Show SMILES CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)CC
Show InChI InChI=1S/C13H26N2O4S/c1-3-19-11-5-8-14-13(16)12-6-9-15(10-7-12)20(17,18)4-2/h12H,3-11H2,1-2H3,(H,14,16)
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38091
PNG
(1-esyl-N-(3-ethoxypropyl)isonipecotamide | MLS0000...)
Show SMILES CCOCCCNC(=O)C1CCN(CC1)S(=O)(=O)CC
Show InChI InChI=1S/C13H26N2O4S/c1-3-19-11-5-8-14-13(16)12-6-9-15(10-7-12)20(17,18)4-2/h12H,3-11H2,1-2H3,(H,14,16)
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38167
PNG
(1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctyl-4-pi...)
Show SMILES CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C22H43N3O3S/c1-18(2)16-25(17-19(3)4)29(27,28)24-14-12-20(13-15-24)22(26)23-21-10-8-6-5-7-9-11-21/h18-21H,5-17H2,1-4H3,(H,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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38167
PNG
(1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctyl-4-pi...)
Show SMILES CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C22H43N3O3S/c1-18(2)16-25(17-19(3)4)29(27,28)24-14-12-20(13-15-24)22(26)23-21-10-8-6-5-7-9-11-21/h18-21H,5-17H2,1-4H3,(H,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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38167
PNG
(1-[bis(2-methylpropyl)sulfamoyl]-N-cyclooctyl-4-pi...)
Show SMILES CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCCC1
Show InChI InChI=1S/C22H43N3O3S/c1-18(2)16-25(17-19(3)4)29(27,28)24-14-12-20(13-15-24)22(26)23-21-10-8-6-5-7-9-11-21/h18-21H,5-17H2,1-4H3,(H,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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38146
PNG
(1-cyclohexyl-4-(3-ethoxypropyl)-3-(3-methoxy-4-pro...)
Show SMILES CCCOc1ccc(cc1OC)C1N(CCCOCC)C(=O)CN(C2CCCCC2)C1=O
Show InChI InChI=1S/C25H38N2O5/c1-4-15-32-21-13-12-19(17-22(21)30-3)24-25(29)27(20-10-7-6-8-11-20)18-23(28)26(24)14-9-16-31-5-2/h12-13,17,20,24H,4-11,14-16,18H2,1-3H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38146
PNG
(1-cyclohexyl-4-(3-ethoxypropyl)-3-(3-methoxy-4-pro...)
Show SMILES CCCOc1ccc(cc1OC)C1N(CCCOCC)C(=O)CN(C2CCCCC2)C1=O
Show InChI InChI=1S/C25H38N2O5/c1-4-15-32-21-13-12-19(17-22(21)30-3)24-25(29)27(20-10-7-6-8-11-20)18-23(28)26(24)14-9-16-31-5-2/h12-13,17,20,24H,4-11,14-16,18H2,1-3H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38146
PNG
(1-cyclohexyl-4-(3-ethoxypropyl)-3-(3-methoxy-4-pro...)
Show SMILES CCCOc1ccc(cc1OC)C1N(CCCOCC)C(=O)CN(C2CCCCC2)C1=O
Show InChI InChI=1S/C25H38N2O5/c1-4-15-32-21-13-12-19(17-22(21)30-3)24-25(29)27(20-10-7-6-8-11-20)18-23(28)26(24)14-9-16-31-5-2/h12-13,17,20,24H,4-11,14-16,18H2,1-3H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37971
PNG
(7-Oxo-7H-thiazolo[3,2-a]pyrimidine-5-carboxylic ac...)
Show SMILES COC(=O)c1cc(=O)nc2sccn12
Show InChI InChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37971
PNG
(7-Oxo-7H-thiazolo[3,2-a]pyrimidine-5-carboxylic ac...)
Show SMILES COC(=O)c1cc(=O)nc2sccn12
Show InChI InChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37971
PNG
(7-Oxo-7H-thiazolo[3,2-a]pyrimidine-5-carboxylic ac...)
Show SMILES COC(=O)c1cc(=O)nc2sccn12
Show InChI InChI=1S/C8H6N2O3S/c1-13-7(12)5-4-6(11)9-8-10(5)2-3-14-8/h2-4H,1H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38024
PNG
((4-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetra...)
Show SMILES CC(C)CCn1nnnc1C(N1CCN(CC1)C(=O)c1ccco1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN6O2/c1-16(2)9-10-29-21(24-25-26-29)20(17-5-7-18(23)8-6-17)27-11-13-28(14-12-27)22(30)19-4-3-15-31-19/h3-8,15-16,20H,9-14H2,1-2H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38024
PNG
((4-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetra...)
Show SMILES CC(C)CCn1nnnc1C(N1CCN(CC1)C(=O)c1ccco1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN6O2/c1-16(2)9-10-29-21(24-25-26-29)20(17-5-7-18(23)8-6-17)27-11-13-28(14-12-27)22(30)19-4-3-15-31-19/h3-8,15-16,20H,9-14H2,1-2H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38024
PNG
((4-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetra...)
Show SMILES CC(C)CCn1nnnc1C(N1CCN(CC1)C(=O)c1ccco1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN6O2/c1-16(2)9-10-29-21(24-25-26-29)20(17-5-7-18(23)8-6-17)27-11-13-28(14-12-27)22(30)19-4-3-15-31-19/h3-8,15-16,20H,9-14H2,1-2H3
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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 (2007)


BindingDB Entry DOI: 10.7270/Q2N014XN
More data for this
Ligand-Target Pair
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37945
PNG
(4-[(1-Phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-me...)
Show SMILES C(Cn1nnnc1C(N1CCOCC1)c1cccs1)c1ccccc1
Show InChI InChI=1S/C18H21N5OS/c1-2-5-15(6-3-1)8-9-23-18(19-20-21-23)17(16-7-4-14-25-16)22-10-12-24-13-11-22/h1-7,14,17H,8-13H2
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37945
PNG
(4-[(1-Phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-me...)
Show SMILES C(Cn1nnnc1C(N1CCOCC1)c1cccs1)c1ccccc1
Show InChI InChI=1S/C18H21N5OS/c1-2-5-15(6-3-1)8-9-23-18(19-20-21-23)17(16-7-4-14-25-16)22-10-12-24-13-11-22/h1-7,14,17H,8-13H2
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UniChem

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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM37945
PNG
(4-[(1-Phenethyl-1H-tetrazol-5-yl)-thiophen-2-yl-me...)
Show SMILES C(Cn1nnnc1C(N1CCOCC1)c1cccs1)c1ccccc1
Show InChI InChI=1S/C18H21N5OS/c1-2-5-15(6-3-1)8-9-23-18(19-20-21-23)17(16-7-4-14-25-16)22-10-12-24-13-11-22/h1-7,14,17H,8-13H2
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UniChem

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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38125
PNG
(4-[[2-[(1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoeth...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)CSc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H25N3O4S/c1-3-27-20(26)23-10-8-14(9-11-23)21-18(24)13-28-17-12-19(25)22(2)16-7-5-4-6-15(16)17/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,21,24)
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38125
PNG
(4-[[2-[(1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoeth...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)CSc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H25N3O4S/c1-3-27-20(26)23-10-8-14(9-11-23)21-18(24)13-28-17-12-19(25)22(2)16-7-5-4-6-15(16)17/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,21,24)
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38125
PNG
(4-[[2-[(1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoeth...)
Show SMILES CCOC(=O)N1CCC(CC1)NC(=O)CSc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H25N3O4S/c1-3-27-20(26)23-10-8-14(9-11-23)21-18(24)13-28-17-12-19(25)22(2)16-7-5-4-6-15(16)17/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,21,24)
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UniChem
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38060
PNG
(MLS000057078 | N-(1,3-diketoisoindolin-4-yl)-4-met...)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cccc2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H19N3O7S/c1-29-15-6-5-12(11-16(15)31(27,28)23-7-9-30-10-8-23)18(24)21-14-4-2-3-13-17(14)20(26)22-19(13)25/h2-6,11H,7-10H2,1H3,(H,21,24)(H,22,25,26)
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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
phosphomevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38060
PNG
(MLS000057078 | N-(1,3-diketoisoindolin-4-yl)-4-met...)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1cccc2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H19N3O7S/c1-29-15-6-5-12(11-16(15)31(27,28)23-7-9-30-10-8-23)18(24)21-14-4-2-3-13-17(14)20(26)22-19(13)25/h2-6,11H,7-10H2,1H3,(H,21,24)(H,22,25,26)
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PC sid
UniChem
PCBioAssay
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
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