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14 molecules are shown

Wt: 264.3
BDBM50351185
Wt: 265.3
BDBM50351190
Wt: 251.2
BDBM50351191
Wt: 236.2
BDBM50351192
Wt: 250.2
BDBM50351193
Wt: 393.4
BDBM50351173
Wt: 322.3
BDBM50351179
Wt: 292.3
BDBM50351180
Wt: 278.3
BDBM50351181
Wt: 292.3
BDBM50351182
Wt: 278.3
BDBM50351184
Wt: 310.3
BDBM50351186
Wt: 310.3
BDBM50351187
Wt: 328.3
BDBM50351189

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50351185,50351190,50351191,50351192,50351193,50351173,50351179,50351180,50351181,50351182,50351184,50351186,50351187,50351189   
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
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351173
PNG
(CHEMBL1818129 | US8835445, 40)
Show SMILES CCOc1ccc(cc1-c1cc2nc(N)nc(N)c2cc1C)C(=O)N(CC)CC
Show InChI InChI=1S/C22H27N5O2/c1-5-27(6-2)21(28)14-8-9-19(29-7-3)16(11-14)15-12-18-17(10-13(15)4)20(23)26-22(24)25-18/h8-12H,5-7H2,1-4H3,(H4,23,24,25,26)
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0.0250n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351173
PNG
(CHEMBL1818129 | US8835445, 40)
Show SMILES CCOc1ccc(cc1-c1cc2nc(N)nc(N)c2cc1C)C(=O)N(CC)CC
Show InChI InChI=1S/C22H27N5O2/c1-5-27(6-2)21(28)14-8-9-19(29-7-3)16(11-14)15-12-18-17(10-13(15)4)20(23)26-22(24)25-18/h8-12H,5-7H2,1-4H3,(H4,23,24,25,26)
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US Patent
0.0250n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351182
PNG
(CHEMBL1818106)
Show SMILES CC(C)c1ccccc1-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C18H20N4/c1-10(2)12-6-4-5-7-13(12)14-9-16-15(8-11(14)3)17(19)22-18(20)21-16/h4-10H,1-3H3,(H4,19,20,21,22)
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0.130n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351184
PNG
(CHEMBL1818117)
Show SMILES CCc1ccccc1-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H18N4/c1-3-11-6-4-5-7-12(11)13-9-15-14(8-10(13)2)16(18)21-17(19)20-15/h4-9H,3H2,1-2H3,(H4,18,19,20,21)
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0.190n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351179
PNG
(CHEMBL1818121)
Show SMILES CCOc1ccc(C=O)cc1-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C18H18N4O2/c1-3-24-16-5-4-11(9-23)7-13(16)12-8-15-14(6-10(12)2)17(19)22-18(20)21-15/h4-9H,3H2,1-2H3,(H4,19,20,21,22)
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0.240n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351187
PNG
(CHEMBL1818114)
Show SMILES COc1ccc(cc1OC)-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H18N4O2/c1-9-6-12-13(20-17(19)21-16(12)18)8-11(9)10-4-5-14(22-2)15(7-10)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
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0.350n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351180
PNG
(CHEMBL1818120 | US8835445, 7)
Show SMILES CC(=O)c1cccc(c1)-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H16N4O/c1-9-6-14-15(20-17(19)21-16(14)18)8-13(9)12-5-3-4-11(7-12)10(2)22/h3-8H,1-2H3,(H4,18,19,20,21)
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US Patent
0.480n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351180
PNG
(CHEMBL1818120 | US8835445, 7)
Show SMILES CC(=O)c1cccc(c1)-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H16N4O/c1-9-6-14-15(20-17(19)21-16(14)18)8-13(9)12-5-3-4-11(7-12)10(2)22/h3-8H,1-2H3,(H4,18,19,20,21)
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0.480n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351186
PNG
(CHEMBL1818115)
Show SMILES COc1ccc(OC)c(c1)-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H18N4O2/c1-9-6-13-14(20-17(19)21-16(13)18)8-11(9)12-7-10(22-2)4-5-15(12)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
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0.660n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351185
PNG
(CHEMBL1818116)
Show SMILES Cc1ccccc1-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C16H16N4/c1-9-5-3-4-6-11(9)12-8-14-13(7-10(12)2)15(17)20-16(18)19-14/h3-8H,1-2H3,(H4,17,18,19,20)
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0.770n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351190
PNG
(CHEMBL1818110 | US8835445, 5)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1ccc(N)cc1
Show InChI InChI=1S/C15H15N5/c1-8-6-12-13(19-15(18)20-14(12)17)7-11(8)9-2-4-10(16)5-3-9/h2-7H,16H2,1H3,(H4,17,18,19,20)
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0.890n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351190
PNG
(CHEMBL1818110 | US8835445, 5)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1ccc(N)cc1
Show InChI InChI=1S/C15H15N5/c1-8-6-12-13(19-15(18)20-14(12)17)7-11(8)9-2-4-10(16)5-3-9/h2-7H,16H2,1H3,(H4,17,18,19,20)
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US Patent
0.890n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351189
PNG
(CHEMBL1818112)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H16N4O2S/c1-9-7-13-14(19-16(18)20-15(13)17)8-12(9)10-3-5-11(6-4-10)23(2,21)22/h3-8H,1-2H3,(H4,17,18,19,20)
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1.20n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351193
PNG
(CHEMBL1818108)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1ccccc1
Show InChI InChI=1S/C15H14N4/c1-9-7-12-13(18-15(17)19-14(12)16)8-11(9)10-5-3-2-4-6-10/h2-8H,1H3,(H4,16,17,18,19)
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1.60n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351191
PNG
(CHEMBL1818109 | US8835445, 4)
Show SMILES Nc1ccc(cc1)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C14H13N5/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(17)19-13(11)16/h1-7H,15H2,(H4,16,17,18,19)
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2.70n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351191
PNG
(CHEMBL1818109 | US8835445, 4)
Show SMILES Nc1ccc(cc1)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C14H13N5/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(17)19-13(11)16/h1-7H,15H2,(H4,16,17,18,19)
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US Patent
2.70n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351181
PNG
(CHEMBL1818119 | US8835445, 6)
Show SMILES CC(=O)c1cccc(c1)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C16H14N4O/c1-9(21)10-3-2-4-11(7-10)12-5-6-13-14(8-12)19-16(18)20-15(13)17/h2-8H,1H3,(H4,17,18,19,20)
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4.40n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351181
PNG
(CHEMBL1818119 | US8835445, 6)
Show SMILES CC(=O)c1cccc(c1)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C16H14N4O/c1-9(21)10-3-2-4-11(7-10)12-5-6-13-14(8-12)19-16(18)20-15(13)17/h2-8H,1H3,(H4,17,18,19,20)
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US Patent
4.40n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate Reductase (DHFR)


(Staphylococcus aureus)
BDBM50351192
PNG
(CHEMBL1818107)
Show SMILES Nc1nc(N)c2ccc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C14H12N4/c15-13-11-7-6-10(9-4-2-1-3-5-9)8-12(11)17-14(16)18-13/h1-8H,(H4,15,16,17,18)
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9.10n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate a...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351179
PNG
(CHEMBL1818121)
Show SMILES CCOc1ccc(C=O)cc1-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C18H18N4O2/c1-3-24-16-5-4-11(9-23)7-13(16)12-8-15-14(6-10(12)2)17(19)22-18(20)21-15/h4-9H,3H2,1-2H3,(H4,19,20,21,22)
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12n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351187
PNG
(CHEMBL1818114)
Show SMILES COc1ccc(cc1OC)-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H18N4O2/c1-9-6-12-13(20-17(19)21-16(12)18)8-11(9)10-4-5-14(22-2)15(7-10)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
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12.2n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351182
PNG
(CHEMBL1818106)
Show SMILES CC(C)c1ccccc1-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C18H20N4/c1-10(2)12-6-4-5-7-13(12)14-9-16-15(8-11(14)3)17(19)22-18(20)21-16/h4-10H,1-3H3,(H4,19,20,21,22)
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20.9n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351180
PNG
(CHEMBL1818120 | US8835445, 7)
Show SMILES CC(=O)c1cccc(c1)-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H16N4O/c1-9-6-14-15(20-17(19)21-16(14)18)8-13(9)12-5-3-4-11(7-12)10(2)22/h3-8H,1-2H3,(H4,18,19,20,21)
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26.3n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351180
PNG
(CHEMBL1818120 | US8835445, 7)
Show SMILES CC(=O)c1cccc(c1)-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H16N4O/c1-9-6-14-15(20-17(19)21-16(14)18)8-13(9)12-5-3-4-11(7-12)10(2)22/h3-8H,1-2H3,(H4,18,19,20,21)
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26.3n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351186
PNG
(CHEMBL1818115)
Show SMILES COc1ccc(OC)c(c1)-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H18N4O2/c1-9-6-13-14(20-17(19)21-16(13)18)8-11(9)12-7-10(22-2)4-5-15(12)23-3/h4-8H,1-3H3,(H4,18,19,20,21)
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27.5n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351173
PNG
(CHEMBL1818129 | US8835445, 40)
Show SMILES CCOc1ccc(cc1-c1cc2nc(N)nc(N)c2cc1C)C(=O)N(CC)CC
Show InChI InChI=1S/C22H27N5O2/c1-5-27(6-2)21(28)14-8-9-19(29-7-3)16(11-14)15-12-18-17(10-13(15)4)20(23)26-22(24)25-18/h8-12H,5-7H2,1-4H3,(H4,23,24,25,26)
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34n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351173
PNG
(CHEMBL1818129 | US8835445, 40)
Show SMILES CCOc1ccc(cc1-c1cc2nc(N)nc(N)c2cc1C)C(=O)N(CC)CC
Show InChI InChI=1S/C22H27N5O2/c1-5-27(6-2)21(28)14-8-9-19(29-7-3)16(11-14)15-12-18-17(10-13(15)4)20(23)26-22(24)25-18/h8-12H,5-7H2,1-4H3,(H4,23,24,25,26)
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34n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351184
PNG
(CHEMBL1818117)
Show SMILES CCc1ccccc1-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C17H18N4/c1-3-11-6-4-5-7-12(11)13-9-15-14(8-10(13)2)16(18)21-17(19)20-15/h4-9H,3H2,1-2H3,(H4,18,19,20,21)
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41.1n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351189
PNG
(CHEMBL1818112)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H16N4O2S/c1-9-7-13-14(19-16(18)20-15(13)17)8-12(9)10-3-5-11(6-4-10)23(2,21)22/h3-8H,1-2H3,(H4,17,18,19,20)
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44.1n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351185
PNG
(CHEMBL1818116)
Show SMILES Cc1ccccc1-c1cc2nc(N)nc(N)c2cc1C
Show InChI InChI=1S/C16H16N4/c1-9-5-3-4-6-11(9)12-8-14-13(7-10(12)2)15(17)20-16(18)19-14/h3-8H,1-2H3,(H4,17,18,19,20)
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95.6n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351193
PNG
(CHEMBL1818108)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1ccccc1
Show InChI InChI=1S/C15H14N4/c1-9-7-12-13(18-15(17)19-14(12)16)8-11(9)10-5-3-2-4-6-10/h2-8H,1H3,(H4,16,17,18,19)
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129n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351190
PNG
(CHEMBL1818110 | US8835445, 5)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1ccc(N)cc1
Show InChI InChI=1S/C15H15N5/c1-8-6-12-13(19-15(18)20-14(12)17)7-11(8)9-2-4-10(16)5-3-9/h2-7H,16H2,1H3,(H4,17,18,19,20)
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138n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351190
PNG
(CHEMBL1818110 | US8835445, 5)
Show SMILES Cc1cc2c(N)nc(N)nc2cc1-c1ccc(N)cc1
Show InChI InChI=1S/C15H15N5/c1-8-6-12-13(19-15(18)20-14(12)17)7-11(8)9-2-4-10(16)5-3-9/h2-7H,16H2,1H3,(H4,17,18,19,20)
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138n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351181
PNG
(CHEMBL1818119 | US8835445, 6)
Show SMILES CC(=O)c1cccc(c1)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C16H14N4O/c1-9(21)10-3-2-4-11(7-10)12-5-6-13-14(8-12)19-16(18)20-15(13)17/h2-8H,1H3,(H4,17,18,19,20)
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323n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351181
PNG
(CHEMBL1818119 | US8835445, 6)
Show SMILES CC(=O)c1cccc(c1)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C16H14N4O/c1-9(21)10-3-2-4-11(7-10)12-5-6-13-14(8-12)19-16(18)20-15(13)17/h2-8H,1H3,(H4,17,18,19,20)
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323n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351191
PNG
(CHEMBL1818109 | US8835445, 4)
Show SMILES Nc1ccc(cc1)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C14H13N5/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(17)19-13(11)16/h1-7H,15H2,(H4,16,17,18,19)
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702n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

US Patent


Assay Description
Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known...


US Patent US8835445 (2014)


BindingDB Entry DOI: 10.7270/Q2DB80J0
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351191
PNG
(CHEMBL1818109 | US8835445, 4)
Show SMILES Nc1ccc(cc1)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C14H13N5/c15-10-4-1-8(2-5-10)9-3-6-11-12(7-9)18-14(17)19-13(11)16/h1-7H,15H2,(H4,16,17,18,19)
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702n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (human))
BDBM50351192
PNG
(CHEMBL1818107)
Show SMILES Nc1nc(N)c2ccc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C14H12N4/c15-13-11-7-6-10(9-4-2-1-3-5-9)8-12(11)17-14(16)18-13/h1-8H,(H4,15,16,17,18)
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743n/an/an/an/an/an/an/an/a



Trius Therapeutics, San Diego, CA 92121, United States.

Curated by ChEMBL


Assay Description
Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spect...


Bioorg Med Chem Lett 21: 5171-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.059
BindingDB Entry DOI: 10.7270/Q27H1JZH
More data for this
Ligand-Target Pair