Found 43 hits of ki for UniProtKB: P00382 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405988
(CHEMBL57343)Show InChI InChI=1S/C16H21N5O2/c1-3-11-4-10(5-12-7-19-16(18)21-15(12)17)6-14(13(11)8-22)20-9(2)23/h4,6-7,22H,3,5,8H2,1-2H3,(H,20,23)(H4,17,18,19,21) | PDB
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405956
(CHEMBL57383)Show InChI InChI=1S/C13H16N4O4S/c1-20-11-6-8(3-4-10(11)21-22(2,18)19)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17) | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405998
(CHEMBL300114)Show InChI InChI=1S/C13H16N4O4S/c1-20-10-4-3-8(6-11(10)21-22(2,18)19)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17) | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50029763
(5-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2...)Show InChI InChI=1S/C19H23N5O2/c1-3-25-15-10-13(9-14-12-22-19(21)23-18(14)20)11-16(26-4-2)17(15)24-7-5-6-8-24/h5-8,10-12H,3-4,9H2,1-2H3,(H4,20,21,22,23) | PDB
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| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50110758
(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)Show InChI InChI=1S/C20H22N4O2/c1-2-25-18-11-15(10-16-12-23-20(22)24-19(16)21)8-9-17(18)26-13-14-6-4-3-5-7-14/h3-9,11-12H,2,10,13H2,1H3,(H4,21,22,23,24) | PDB
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405974
(CHEMBL56129)Show InChI InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16) | PDB
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| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405984
(CHEMBL434787)Show InChI InChI=1S/C12H14N4O3S/c1-20(17,18)19-10-4-2-3-8(6-10)5-9-7-15-12(14)16-11(9)13/h2-4,6-7H,5H2,1H3,(H4,13,14,15,16) | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50138687
(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)10-13-6-8-16(9-7-13)23-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H4,19,20,21,22) | PDB
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| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405964
(CHEMBL298955)Show InChI InChI=1S/C12H14N4O3S/c1-20(17,18)19-10-4-2-8(3-5-10)6-9-7-15-12(14)16-11(9)13/h2-5,7H,6H2,1H3,(H4,13,14,15,16) | PDB
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| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405995
(CHEMBL31055)Show InChI InChI=1S/C13H15N5O2/c14-11(19)7-20-10-3-1-2-8(5-10)4-9-6-17-13(16)18-12(9)15/h1-3,5-6H,4,7H2,(H2,14,19)(H4,15,16,17,18) | PDB
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| 269 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291785
(6,6-Dimethyl-1-(3-m-tolyloxymethyl-phenyl)-1,6-dih...)Show SMILES Cc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20| Show InChI InChI=1S/C19H23N5O/c1-13-6-4-9-16(10-13)25-12-14-7-5-8-15(11-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23) | PDB
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| 537 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405963
(CHEMBL19414)Show InChI InChI=1S/C11H11N5O2/c12-10-8(6-14-11(13)15-10)5-7-1-3-9(4-2-7)16(17)18/h1-4,6H,5H2,(H4,12,13,14,15) | PDB
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| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase |
J Med Chem 34: 46-54 (1991)
BindingDB Entry DOI: 10.7270/Q2X92CH4 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291795
(CHEMBL441503 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(CO)c2)c1 |t:3,6| Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)15-7-3-6-14(9-15)12-26-16-8-4-5-13(10-16)11-25/h3-10,25H,11-12H2,1-2H3,(H4,20,21,22,23) | PDB
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| 646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291800
(6,6-Dimethyl-1-(3-undecyloxy-phenyl)-1,6-dihydro-[...)Show SMILES CCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:21,24| Show InChI InChI=1S/C22H37N5O/c1-4-5-6-7-8-9-10-11-12-16-28-19-15-13-14-18(17-19)27-21(24)25-20(23)26-22(27,2)3/h13-15,17H,4-12,16H2,1-3H3,(H4,23,24,25,26) | PDB
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| 646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405099
(CHEMBL33750)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=S)c2)c1 |t:3,6| Show InChI InChI=1S/C19H23N7OS/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-27-15-8-4-6-13(10-15)23-18(22)28/h3-10H,11H2,1-2H3,(H3,22,23,28)(H4,20,21,24,25) | PDB
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| 676 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405076
(CHEMBL269704)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 |t:3,6| Show InChI InChI=1S/C18H19Cl2N5O/c1-18(2)24-16(21)23-17(22)25(18)12-4-3-5-13(9-12)26-10-11-6-7-14(19)15(20)8-11/h3-9H,10H2,1-2H3,(H4,21,22,23,24) | PDB
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| 708 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405037
(CHEMBL33558)Show SMILES CC(C)(C)c1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23| Show InChI InChI=1S/C22H29N5O/c1-21(2,3)16-9-7-11-18(13-16)28-14-15-8-6-10-17(12-15)27-20(24)25-19(23)26-22(27,4)5/h6-13H,14H2,1-5H3,(H4,23,24,25,26) | PDB
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| 871 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405087
(CHEMBL7435)Show SMILES CCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:14,17| Show InChI InChI=1S/C15H23N5O/c1-4-5-9-21-12-8-6-7-11(10-12)20-14(17)18-13(16)19-15(20,2)3/h6-8,10H,4-5,9H2,1-3H3,(H4,16,17,18,19) | PDB
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| 891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291782
(3-[3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(c2)C#N)c1 |t:3,6| Show InChI InChI=1S/C19H20N6O/c1-19(2)24-17(21)23-18(22)25(19)15-7-3-6-14(9-15)12-26-16-8-4-5-13(10-16)11-20/h3-10H,12H2,1-2H3,(H4,21,22,23,24) | PDB
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| 891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291797
(6,6-Dimethyl-1-{3-[2-(3-trifluoromethyl-phenoxy)-e...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2cccc(c2)C(F)(F)F)c1 |t:3,6| Show InChI InChI=1S/C20H22F3N5O2/c1-19(2)27-17(24)26-18(25)28(19)14-6-4-8-16(12-14)30-10-9-29-15-7-3-5-13(11-15)20(21,22)23/h3-8,11-12H,9-10H2,1-2H3,(H4,24,25,26,27) | PDB
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| 912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291783
(1-[3-(3-Methoxy-phenoxymethyl)-phenyl]-6,6-dimethy...)Show SMILES COc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:18,21| Show InChI InChI=1S/C19H23N5O2/c1-19(2)23-17(20)22-18(21)24(19)14-7-4-6-13(10-14)12-26-16-9-5-8-15(11-16)25-3/h4-11H,12H2,1-3H3,(H4,20,21,22,23) | PDB
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| 955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291806
(1-[3-(Adamantan-1-ylmethoxy)-phenyl]-6,6-dimethyl-...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCC23CC4CC(CC(C4)C2)C3)c1 |t:3,6,TLB:24:23:26:19.18.20,24:19:26:23.25.22,20:21:25:19.18.24,THB:20:19:25:21.26.22,22:21:18:23.25.24,22:23:18:21.26.20| Show InChI InChI=1S/C22H31N5O/c1-21(2)26-19(23)25-20(24)27(21)17-4-3-5-18(9-17)28-13-22-10-14-6-15(11-22)8-16(7-14)12-22/h3-5,9,14-16H,6-8,10-13H2,1-2H3,(H4,23,24,25,26) | PDB
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| 977 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291789
(1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1 |t:3,6| Show InChI InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-3-5-12(9-14)11-25-15-8-4-6-13(19)10-15/h3-10H,11H2,1-2H3,(H4,20,21,22,23) | PDB
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| 977 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291778
(CHEMBL20812 | N-{3-[3-(4,6-Diamino-2,2-dimethyl-2H...)Show SMILES CC(=O)Nc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:20,23| Show InChI InChI=1S/C20H24N6O2/c1-13(27)23-15-7-5-9-17(11-15)28-12-14-6-4-8-16(10-14)26-19(22)24-18(21)25-20(26,2)3/h4-11H,12H2,1-3H3,(H,23,27)(H4,21,22,24,25) | PDB
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| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291802
(1-[3-(3-Ethyl-phenoxymethyl)-phenyl]-6,6-dimethyl-...)Show SMILES CCc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:18,21| Show InChI InChI=1S/C20H25N5O/c1-4-14-7-6-10-17(12-14)26-13-15-8-5-9-16(11-15)25-19(22)23-18(21)24-20(25,2)3/h5-12H,4,13H2,1-3H3,(H4,21,22,23,24) | PDB
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| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50225441
(CHEMBL59212)Show SMILES CCOCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C14H21N5O/c1-4-20-9-10-6-5-7-11(8-10)19-13(16)17-12(15)18-14(19,2)3/h5-8H,4,9H2,1-3H3,(H4,15,16,17,18) | PDB
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| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291771
(CHEMBL20528 | {3-[3-(4,6-Diamino-2,2-dimethyl-2H-[...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=O)c2)c1 |t:3,6| Show InChI InChI=1S/C19H23N7O2/c1-19(2)25-16(20)24-17(21)26(19)14-7-3-5-12(9-14)11-28-15-8-4-6-13(10-15)23-18(22)27/h3-10H,11H2,1-2H3,(H3,22,23,27)(H4,20,21,24,25) | PDB
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| 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405069
(CHEMBL287235)Show SMILES CCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:22,25| Show InChI InChI=1S/C23H39N5O/c1-4-5-6-7-8-9-10-11-12-13-17-29-20-16-14-15-19(18-20)28-22(25)26-21(24)27-23(28,2)3/h14-16,18H,4-13,17H2,1-3H3,(H4,24,25,26,27) | PDB
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| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50090054
(1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...)Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16) | PDB
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| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405083
(CHEMBL267499)Show InChI InChI=1S/C11H14FN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16) | PDB
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| 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291801
(6,6-Dimethyl-1-(3-tetradecyloxy-phenyl)-1,6-dihydr...)Show SMILES CCCCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:24,27| Show InChI InChI=1S/C25H43N5O/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-31-22-18-16-17-21(20-22)30-24(27)28-23(26)29-25(30,2)3/h16-18,20H,4-15,19H2,1-3H3,(H4,26,27,28,29) | PDB
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| 1.41E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405067
(CHEMBL32063)Show SMILES CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:15,18| Show InChI InChI=1S/C17H27N5/c1-4-5-6-7-9-13-10-8-11-14(12-13)22-16(19)20-15(18)21-17(22,2)3/h8,10-12H,4-7,9H2,1-3H3,(H4,18,19,20,21) | PDB
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| 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291793
(6,6-Dimethyl-1-(3-trifluoromethyl-phenyl)-1,6-dihy...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(F)(F)F |t:3,6| Show InChI InChI=1S/C12H14F3N5/c1-11(2)19-9(16)18-10(17)20(11)8-5-3-4-7(6-8)12(13,14)15/h3-6H,1-2H3,(H4,16,17,18,19) | PDB
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| 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405089
(CHEMBL268414)Show InChI InChI=1S/C11H14IN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16) | PDB
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| 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291779
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)Show InChI InChI=1S/C12H14N6/c1-12(2)17-10(14)16-11(15)18(12)9-5-3-4-8(6-9)7-13/h3-6H,1-2H3,(H4,14,15,16,17) | PDB
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| 3.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405059
(CHEMBL7070)Show InChI InChI=1S/C12H17N5/c1-8-5-4-6-9(7-8)17-11(14)15-10(13)16-12(17,2)3/h4-7H,1-3H3,(H4,13,14,15,16) | PDB
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| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291780
(1-(3-Benzyloxy-phenyl)-6,6-dimethyl-1,6-dihydro-[1...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-9-6-10-15(11-14)24-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22) | PDB
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| 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291798
(1-(3-tert-Butyl-phenyl)-6,6-dimethyl-1,6-dihydro-[...)Show SMILES CC(C)(C)c1cccc(c1)N1C(N)=NC(N)=NC1(C)C |c:13,16| Show InChI InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19) | PDB
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| 1.91E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50090067
(6,6-Dimethyl-1-phenyl-1,6-dihydro-[1,3,5]triazine-...)Show InChI InChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(13)16(11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15) | PDB
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| 3.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291776
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)S(N)(=O)=O |t:3,6| Show InChI InChI=1S/C11H16N6O2S/c1-11(2)16-9(12)15-10(13)17(11)7-4-3-5-8(6-7)20(14,18)19/h3-6H,1-2H3,(H2,14,18,19)(H4,12,13,15,16) | PDB
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| 2.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291777
(3-(4,6-Diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(c1)C(N)=O |t:3,6| Show InChI InChI=1S/C12H16N6O/c1-12(2)17-10(14)16-11(15)18(12)8-5-3-4-7(6-8)9(13)19/h3-6H,1-2H3,(H2,13,19)(H4,14,15,16,17) | PDB
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| 3.31E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50405065
(CHEMBL286571)Show SMILES Cc1cccc(SCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1 |c:17,20| Show InChI InChI=1S/C19H23N5S/c1-13-6-4-9-16(10-13)25-12-14-7-5-8-15(11-14)24-18(21)22-17(20)23-19(24,2)3/h4-11H,12H2,1-3H3,(H4,20,21,22,23) | PDB
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| 3.98E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase type 1
(Escherichia coli) | BDBM50291794
(6,6-Dimethyl-1-(3-phenylsulfanylmethyl-phenyl)-1,6...)Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CSc2ccccc2)c1 |t:3,6| Show InChI InChI=1S/C18H21N5S/c1-18(2)22-16(19)21-17(20)23(18)14-8-6-7-13(11-14)12-24-15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H4,19,20,21,22) | PDB
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| 4.37E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli dihydrofolate reductase. |
J Med Chem 28: 1910-6 (1985)
BindingDB Entry DOI: 10.7270/Q2G44SH3 |
More data for this
Ligand-Target Pair | |
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