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Compile Data Set for Download or QSAR

Found 954 hits Enz. Inhib. hit(s) with Target = 'mevalonate kinase'   
Target
(Institution)
LigandTarget
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
mevalonate kinase


(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
PDB
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n/an/a 287n/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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38549
PNG
(4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-h...)
Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O
Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
PDB
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n/an/a 511n/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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38549
PNG
(4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-h...)
Show SMILES OC(=O)c1cc2ccccc2c(Cc2c(O)c(cc3ccccc23)C(O)=O)c1O
Show InChI InChI=1S/C23H16O6/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h1-10,24-25H,11H2,(H,26,27)(H,28,29)
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n/an/a 539n/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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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 670n/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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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 795n/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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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 1.10E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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 1.33E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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 1.78E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM50244216
PNG
(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Show SMILES O=c1n2CCCc2nc2ccccc12
Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
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n/an/a 1.84E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38667
PNG
((2R)-2-(1-ketoisoindolin-2-yl)-2-phenyl-acetic aci...)
Show SMILES OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1
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n/an/a 2.76E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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 2.93E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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 3.26E+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 C...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM50244216
PNG
(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Show SMILES O=c1n2CCCc2nc2ccccc12
Show InChI InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
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n/an/a 3.29E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38573
PNG
(9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihy...)
Show SMILES COc1cc2CCn3c(cc(NCc4ccccn4)nc3=O)-c2cc1OC
Show InChI InChI=1S/C20H20N4O3/c1-26-17-9-13-6-8-24-16(15(13)10-18(17)27-2)11-19(23-20(24)25)22-12-14-5-3-4-7-21-14/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,22,23,25)
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n/an/a 3.40E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38601
PNG
(7-(3,4-dimethylanilino)-6-(2-methylphenyl)-7H-pyrr...)
Show SMILES Cc1ccc(Nc2n(-c3ccccc3C)c(=O)c3ccc[nH]c23)cc1C
Show InChI InChI=1S/C22H21N3O/c1-14-10-11-17(13-16(14)3)24-21-20-18(8-6-12-23-20)22(26)25(21)19-9-5-4-7-15(19)2/h4-13,23-24H,1-3H3
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n/an/a 3.61E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34595
PNG
(4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,4H2,1-3H3,(H,21,25)
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n/an/a 3.74E+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...


Citation and Details
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38612
PNG
(7-(5-chloro-2-methoxy-anilino)-6-p-anisyl-7H-pyrro...)
Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)ccc3OC)c3[nH]cccc3c2=O)cc1
Show InChI InChI=1S/C22H20ClN3O3/c1-28-16-8-5-14(6-9-16)13-26-21(20-17(22(26)27)4-3-11-24-20)25-18-12-15(23)7-10-19(18)29-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 4.74E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38667
PNG
((2R)-2-(1-ketoisoindolin-2-yl)-2-phenyl-acetic aci...)
Show SMILES OC(=O)[C@H](N1Cc2ccccc2C1=O)c1ccccc1
Show InChI InChI=1S/C16H13NO3/c18-15-13-9-5-4-8-12(13)10-17(15)14(16(19)20)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,19,20)/t14-/m1/s1
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n/an/a 4.76E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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 5.41E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38601
PNG
(7-(3,4-dimethylanilino)-6-(2-methylphenyl)-7H-pyrr...)
Show SMILES Cc1ccc(Nc2n(-c3ccccc3C)c(=O)c3ccc[nH]c23)cc1C
Show InChI InChI=1S/C22H21N3O/c1-14-10-11-17(13-16(14)3)24-21-20-18(8-6-12-23-20)22(26)25(21)19-9-5-4-7-15(19)2/h4-13,23-24H,1-3H3
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n/an/a 5.60E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38612
PNG
(7-(5-chloro-2-methoxy-anilino)-6-p-anisyl-7H-pyrro...)
Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)ccc3OC)c3[nH]cccc3c2=O)cc1
Show InChI InChI=1S/C22H20ClN3O3/c1-28-16-8-5-14(6-9-16)13-26-21(20-17(22(26)27)4-3-11-24-20)25-18-12-15(23)7-10-19(18)29-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 6.87E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38573
PNG
(9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihy...)
Show SMILES COc1cc2CCn3c(cc(NCc4ccccn4)nc3=O)-c2cc1OC
Show InChI InChI=1S/C20H20N4O3/c1-26-17-9-13-6-8-24-16(15(13)10-18(17)27-2)11-19(23-20(24)25)22-12-14-5-3-4-7-21-14/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,22,23,25)
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n/an/a 7.07E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


Citation and Details
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38595
PNG
(2-[(4-chloranylphenoxy)methyl]-3-methyl-quinazolin...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
Show InChI InChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34579
PNG
(4-[[cyclohexyl(methyl)amino]methyl]-3-hydroxy-6-be...)
Show SMILES CN(Cc1c(O)ccc2c3ccccc3c(=O)oc12)C1CCCCC1
Show InChI InChI=1S/C21H23NO3/c1-22(14-7-3-2-4-8-14)13-18-19(23)12-11-16-15-9-5-6-10-17(15)21(24)25-20(16)18/h5-6,9-12,14,23H,2-4,7-8,13H2,1H3
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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...


Citation and Details
More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34334
PNG
(MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...)
Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34595
PNG
(4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,4H2,1-3H3,(H,21,25)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34579
PNG
(4-[[cyclohexyl(methyl)amino]methyl]-3-hydroxy-6-be...)
Show SMILES CN(Cc1c(O)ccc2c3ccccc3c(=O)oc12)C1CCCCC1
Show InChI InChI=1S/C21H23NO3/c1-22(14-7-3-2-4-8-14)13-18-19(23)12-11-16-15-9-5-6-10-17(15)21(24)25-20(16)18/h5-6,9-12,14,23H,2-4,7-8,13H2,1H3
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34471
PNG
(4-(2,5-dimethoxyphenyl)-3-(3-hydroxyphenyl)-1H-1,2...)
Show SMILES COc1ccc(OC)c(c1)-n1c(n[nH]c1=S)-c1cccc(O)c1
Show InChI InChI=1S/C16H15N3O3S/c1-21-12-6-7-14(22-2)13(9-12)19-15(17-18-16(19)23)10-4-3-5-11(20)8-10/h3-9,20H,1-2H3,(H,18,23)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34352
PNG
(2-(morpholin-4-ylthio)-1H-benzimidazole | 4-(1H-be...)
Show SMILES C1CN(CCO1)Sc1nc2ccccc2[nH]1
Show InChI InChI=1S/C11H13N3OS/c1-2-4-10-9(3-1)12-11(13-10)16-14-5-7-15-8-6-14/h1-4H,5-8H2,(H,12,13)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38597
PNG
(7-(5-chloro-2,4-dimethoxy-anilino)-6-p-anisyl-7H-p...)
Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)c(OC)cc3OC)c3[nH]cccc3c2=O)cc1
Show InChI InChI=1S/C23H22ClN3O4/c1-29-15-8-6-14(7-9-15)13-27-22(21-16(23(27)28)5-4-10-25-21)26-18-11-17(24)19(30-2)12-20(18)31-3/h4-12,25-26H,13H2,1-3H3
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34324
PNG
(5-(2,3-dimethylanilino)-3H-1,3,4-thiadiazole-2-thi...)
Show SMILES Cc1cccc(Nc2nnc(S)s2)c1C
Show InChI InChI=1S/C10H11N3S2/c1-6-4-3-5-8(7(6)2)11-9-12-13-10(14)15-9/h3-5H,1-2H3,(H,11,12)(H,13,14)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38606
PNG
(7-(3,5-dimethoxyanilino)-6-(2-furanylmethyl)-7H-py...)
Show SMILES COc1cc(Nc2n(Cc3ccco3)c(=O)c3ccc[nH]c23)cc(OC)c1
Show InChI InChI=1S/C20H19N3O4/c1-25-15-9-13(10-16(11-15)26-2)22-19-18-17(6-3-7-21-18)20(24)23(19)12-14-5-4-8-27-14/h3-11,21-22H,12H2,1-2H3
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38595
PNG
(2-[(4-chloranylphenoxy)methyl]-3-methyl-quinazolin...)
Show SMILES Cn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
Show InChI InChI=1S/C16H13ClN2O2/c1-19-15(10-21-12-8-6-11(17)7-9-12)18-14-5-3-2-4-13(14)16(19)20/h2-9H,10H2,1H3
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34595
PNG
(4-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-6-methy...)
Show SMILES CCOC(=O)C1C(NC(=O)N=C1C)c1c(C)nn(c1Cl)-c1ccccc1
Show InChI InChI=1S/C18H19ClN4O3/c1-4-26-17(24)14-10(2)20-18(25)21-15(14)13-11(3)22-23(16(13)19)12-8-6-5-7-9-12/h5-9,14-15H,4H2,1-3H3,(H,21,25)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38588
PNG
(1-(5-esyl-2-hydroxy-phenyl)-3-phenyl-urea | 1-(5-e...)
Show SMILES CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C15H16N2O4S/c1-2-22(20,21)12-8-9-14(18)13(10-12)17-15(19)16-11-6-4-3-5-7-11/h3-10,18H,2H2,1H3,(H2,16,17,19)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38607
PNG
(4-[(6-benzyl-5-keto-7H-pyrrolo[3,4-b]pyridin-7-yl)...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Nc2n(Cc3ccccc3)c(=O)c3ccc[nH]c23)cc1
Show InChI InChI=1S/C24H26N4O3S/c1-3-27(4-2)32(30,31)20-14-12-19(13-15-20)26-23-22-21(11-8-16-25-22)24(29)28(23)17-18-9-6-5-7-10-18/h5-16,25-26H,3-4,17H2,1-2H3
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34579
PNG
(4-[[cyclohexyl(methyl)amino]methyl]-3-hydroxy-6-be...)
Show SMILES CN(Cc1c(O)ccc2c3ccccc3c(=O)oc12)C1CCCCC1
Show InChI InChI=1S/C21H23NO3/c1-22(14-7-3-2-4-8-14)13-18-19(23)12-11-16-15-9-5-6-10-17(15)21(24)25-20(16)18/h5-6,9-12,14,23H,2-4,7-8,13H2,1H3
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34352
PNG
(2-(morpholin-4-ylthio)-1H-benzimidazole | 4-(1H-be...)
Show SMILES C1CN(CCO1)Sc1nc2ccccc2[nH]1
Show InChI InChI=1S/C11H13N3OS/c1-2-4-10-9(3-1)12-11(13-10)16-14-5-7-15-8-6-14/h1-4H,5-8H2,(H,12,13)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34334
PNG
(MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...)
Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38597
PNG
(7-(5-chloro-2,4-dimethoxy-anilino)-6-p-anisyl-7H-p...)
Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)c(OC)cc3OC)c3[nH]cccc3c2=O)cc1
Show InChI InChI=1S/C23H22ClN3O4/c1-29-15-8-6-14(7-9-15)13-27-22(21-16(23(27)28)5-4-10-25-21)26-18-11-17(24)19(30-2)12-20(18)31-3/h4-12,25-26H,13H2,1-3H3
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38588
PNG
(1-(5-esyl-2-hydroxy-phenyl)-3-phenyl-urea | 1-(5-e...)
Show SMILES CCS(=O)(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1
Show InChI InChI=1S/C15H16N2O4S/c1-2-22(20,21)12-8-9-14(18)13(10-12)17-15(19)16-11-6-4-3-5-7-11/h3-10,18H,2H2,1H3,(H2,16,17,19)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34548
PNG
(4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...)
Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N
Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)
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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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34471
PNG
(4-(2,5-dimethoxyphenyl)-3-(3-hydroxyphenyl)-1H-1,2...)
Show SMILES COc1ccc(OC)c(c1)-n1c(n[nH]c1=S)-c1cccc(O)c1
Show InChI InChI=1S/C16H15N3O3S/c1-21-12-6-7-14(22-2)13(9-12)19-15(17-18-16(19)23)10-4-3-5-11(20)8-10/h3-9,20H,1-2H3,(H,18,23)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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n/an/a 2.35E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38606
PNG
(7-(3,5-dimethoxyanilino)-6-(2-furanylmethyl)-7H-py...)
Show SMILES COc1cc(Nc2n(Cc3ccco3)c(=O)c3ccc[nH]c23)cc(OC)c1
Show InChI InChI=1S/C20H19N3O4/c1-25-15-9-13(10-16(11-15)26-2)22-19-18-17(6-3-7-21-18)20(24)23(19)12-14-5-4-8-27-14/h3-11,21-22H,12H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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UniChem
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PCBioAssay
n/an/a 2.50E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(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
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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n/an/a 2.59E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM34548
PNG
(4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...)
Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N
Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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n/an/a 2.91E+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)

More data for this
Ligand-Target Pair
mevalonate kinase


(Streptococcus pneumoniae D39)
BDBM38575
PNG
(6-oxidanylidene-3-phenyl-8-(2,4,5-trimethoxyphenyl...)
Show SMILES COc1cc(OC)c(cc1OC)C1CC(=O)N2CN(CSC2=C1C#N)c1ccccc1
Show InChI InChI=1S/C23H23N3O4S/c1-28-19-11-21(30-3)20(29-2)9-17(19)16-10-22(27)26-13-25(15-7-5-4-6-8-15)14-31-23(26)18(16)12-24/h4-9,11,16H,10,13-14H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.93E+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)

More data for this
Ligand-Target Pair
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