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PubMed code 27643559

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210347
PNG
(CHEMBL3921820)
Show SMILES Brc1ccc2[nH]c(NC(=O)c3cc4ccc(Br)cc4[nH]3)nc2c1
Show InChI InChI=1S/C16H10Br2N4O/c17-9-2-1-8-5-14(19-12(8)6-9)15(23)22-16-20-11-4-3-10(18)7-13(11)21-16/h1-7,19H,(H2,20,21,22,23)
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n/an/a 2n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210348
PNG
(CHEMBL3949603)
Show SMILES Brc1ccc2[nH]c(cc2c1)C(=O)Nc1nc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C16H10Br2N4O/c17-9-1-3-11-8(5-9)6-14(19-11)15(23)22-16-20-12-4-2-10(18)7-13(12)21-16/h1-7,19H,(H2,20,21,22,23)
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n/an/a 3n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210352
PNG
(CHEMBL3897760)
Show SMILES Oc1ccc(Br)cc1C(=O)Nc1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C14H8Br2N2O2S/c15-7-2-4-11(19)9(5-7)13(20)18-14-17-10-3-1-8(16)6-12(10)21-14/h1-6,19H,(H,17,18,20)
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n/an/a 3n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210350
PNG
(CHEMBL3898458)
Show SMILES Oc1c(Br)cc(Br)cc1C(=O)Nc1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C14H7Br3N2O2S/c15-6-1-2-10-11(5-6)22-14(18-10)19-13(21)8-3-7(16)4-9(17)12(8)20/h1-5,20H,(H,18,19,21)
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n/an/a 4n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210353
PNG
(CHEMBL3933658)
Show SMILES Brc1ccc2cc([nH]c2c1)C(=O)\C=C\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C19H13BrN2O/c20-14-6-5-13-10-18(22-17(13)11-14)19(23)8-7-15-9-12-3-1-2-4-16(12)21-15/h1-11,21-22H/b8-7+
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n/an/a 5n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210442
PNG
(CHEMBL3926448)
Show SMILES COc1ccc(Br)cc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C18H13Br2NO2/c1-23-18-7-5-13(19)8-12(18)3-6-17(22)16-9-11-2-4-14(20)10-15(11)21-16/h2-10,21H,1H3/b6-3+
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n/an/a 8n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210342
PNG
(CHEMBL3925434)
Show SMILES COc1ccc(Br)cc1C(=O)Nc1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C15H10Br2N2O2S/c1-21-12-5-3-8(16)6-10(12)14(20)19-15-18-11-4-2-9(17)7-13(11)22-15/h2-7H,1H3,(H,18,19,20)
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n/an/a 8n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210340
PNG
(CHEMBL3932602)
Show SMILES Brc1ccc2[nH]c(cc2c1)C(=O)Nc1nc2cc(Br)ccc2s1
Show InChI InChI=1S/C16H9Br2N3OS/c17-9-1-3-11-8(5-9)6-13(19-11)15(22)21-16-20-12-7-10(18)2-4-14(12)23-16/h1-7,19H,(H,20,21,22)
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n/an/a 8n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210441
PNG
(CHEMBL3939774)
Show SMILES Brc1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1
Show InChI InChI=1S/C15H10Br2N2O/c16-10-3-5-12(6-4-10)18-15(20)14-7-9-1-2-11(17)8-13(9)19-14/h1-8,19H,(H,18,20)
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n/an/a 10n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210339
PNG
(CHEMBL3952026)
Show SMILES Oc1ccc(Br)cc1C(=O)Nc1nc2cc(Br)ccc2[nH]1
Show InChI InChI=1S/C14H9Br2N3O2/c15-7-2-4-12(20)9(5-7)13(21)19-14-17-10-3-1-8(16)6-11(10)18-14/h1-6,20H,(H2,17,18,19,21)
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n/an/a 11n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210349
PNG
(CHEMBL3978020)
Show SMILES Brc1ccc2nc(NC(=O)c3cc4ccccc4[nH]3)sc2c1
Show InChI InChI=1S/C16H10BrN3OS/c17-10-5-6-12-14(8-10)22-16(19-12)20-15(21)13-7-9-3-1-2-4-11(9)18-13/h1-8,18H,(H,19,20,21)
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n/an/a 11n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210346
PNG
(CHEMBL3969320)
Show SMILES Oc1ccc(Br)cc1NC(=O)c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C15H10Br2N2O2/c16-9-2-1-8-5-13(18-11(8)6-9)15(21)19-12-7-10(17)3-4-14(12)20/h1-7,18,20H,(H,19,21)
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n/an/a 12n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210457
PNG
(CHEMBL3925374)
Show SMILES Oc1cc(Br)ccc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C17H11Br2NO2/c18-12-5-2-11-7-15(20-14(11)8-12)16(21)6-3-10-1-4-13(19)9-17(10)22/h1-9,20,22H/b6-3+
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n/an/a 14n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50192869
PNG
(CIS-3,4-DIHYDROHAMACANTHIN B)
Show SMILES Brc1ccc2c(c[nH]c2c1)[C@@H]1CNC(=O)[C@@H](N1)c1c[nH]c2cc(Br)ccc12 |r|
Show InChI InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-24,26H,9H2,(H,25,27)/t18-,19-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210439
PNG
(CHEMBL3907484)
Show SMILES Brc1ccc2[nH]c(cc2c1)C(=O)Nc1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C16H9Br2N3OS/c17-9-1-3-11-8(5-9)6-13(19-11)15(22)21-16-20-12-4-2-10(18)7-14(12)23-16/h1-7,19H,(H,20,21,22)
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n/an/a 23n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210356
PNG
(CHEMBL3898387)
Show SMILES Oc1ccc(Br)cc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C17H11Br2NO2/c18-12-4-6-16(21)11(7-12)2-5-17(22)15-8-10-1-3-13(19)9-14(10)20-15/h1-9,20-21H/b5-2+
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n/an/a 24n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210351
PNG
(CHEMBL3916448)
Show SMILES Oc1c(Br)cccc1C(=O)Nc1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C14H8Br2N2O2S/c15-7-4-5-10-11(6-7)21-14(17-10)18-13(20)8-2-1-3-9(16)12(8)19/h1-6,19H,(H,17,18,20)
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n/an/a 43n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210440
PNG
(CHEMBL3960096)
Show SMILES Brc1ccc2sc(NC(=O)c3cc4ccccc4[nH]3)nc2c1
Show InChI InChI=1S/C16H10BrN3OS/c17-10-5-6-14-12(8-10)19-16(22-14)20-15(21)13-7-9-3-1-2-4-11(9)18-13/h1-8,18H,(H,19,20,21)
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n/an/a 51n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210344
PNG
(BROMODEOXYTOPSENTIN)
Show SMILES Brc1ccc2c(c[nH]c2c1)-c1cnc([nH]1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H13BrN4O/c21-11-5-6-13-14(8-23-17(13)7-11)18-10-24-20(25-18)19(26)15-9-22-16-4-2-1-3-12(15)16/h1-10,22-23H,(H,24,25)
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n/an/a 60n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210345
PNG
(CHEMBL3903225)
Show SMILES Brc1ccc(cc1)-c1c[nH]c2cc(Br)ccc12
Show InChI InChI=1S/C14H9Br2N/c15-10-3-1-9(2-4-10)13-8-17-14-7-11(16)5-6-12(13)14/h1-8,17H
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n/an/a 102n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210464
PNG
(CHEMBL3958246)
Show SMILES Oc1c(Br)cccc1NC(=O)c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C15H10Br2N2O2/c16-9-5-4-8-6-13(18-12(8)7-9)15(21)19-11-3-1-2-10(17)14(11)20/h1-7,18,20H,(H,19,21)
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n/an/a 116n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210456
PNG
(CHEMBL3945342)
Show SMILES Oc1cc(Br)ccc1C(=O)\C=C\c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C17H11Br2NO2/c18-11-2-1-10-7-13(20-15(10)8-11)4-6-16(21)14-5-3-12(19)9-17(14)22/h1-9,20,22H/b6-4+
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n/an/a 132n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210458
PNG
(CHEMBL3986211)
Show SMILES Oc1cc(Br)ccc1C(=O)Nc1nc2ccc(Br)cc2s1
Show InChI InChI=1S/C14H8Br2N2O2S/c15-7-1-3-9(11(19)5-7)13(20)18-14-17-10-4-2-8(16)6-12(10)21-14/h1-6,19H,(H,17,18,20)
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n/an/a 214n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210343
PNG
(CHEMBL3924040)
Show SMILES Oc1ccccc1C(=O)\C=C\c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C17H12BrNO2/c18-12-6-5-11-9-13(19-15(11)10-12)7-8-17(21)14-3-1-2-4-16(14)20/h1-10,19-20H/b8-7+
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n/an/a 343n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210357
PNG
(CHEMBL3935352)
Show SMILES Oc1ccc(Br)cc1\C=C\C(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C17H12BrNO2/c18-13-6-8-16(20)12(9-13)5-7-17(21)15-10-11-3-1-2-4-14(11)19-15/h1-10,19-20H/b7-5+
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n/an/a 355n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210354
PNG
(CHEMBL3953050)
Show SMILES Oc1c(Br)cccc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1
Show InChI InChI=1S/C17H11Br2NO2/c18-12-6-4-11-8-15(20-14(11)9-12)16(21)7-5-10-2-1-3-13(19)17(10)22/h1-9,20,22H/b7-5+
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n/an/a 403n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210459
PNG
(CHEMBL3932979)
Show SMILES Oc1cc(Br)ccc1C(=O)\C=C\c1cc2ccccc2[nH]1
Show InChI InChI=1S/C17H12BrNO2/c18-12-5-7-14(17(21)10-12)16(20)8-6-13-9-11-3-1-2-4-15(11)19-13/h1-10,19,21H/b8-6+
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n/an/a 553n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
Pyruvate kinase


(Staphylococcus aureus (strain MRSA252))
BDBM50210341
PNG
(CHEMBL3970632)
Show SMILES Brc1ccc2[nH]cc(\C=C\C(=O)c3cc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C19H13BrN2O/c20-14-6-7-17-15(10-14)13(11-21-17)5-8-19(23)18-9-12-3-1-2-4-16(12)22-18/h1-11,21-22H/b8-5+
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n/an/a 1.78E+3n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...


Eur J Med Chem 125: 1-13 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.018
BindingDB Entry DOI: 10.7270/Q2CC12P0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%