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Compile Data Set for Download or QSAR

Found 43 hits of ki for UniProtKB: P00382   
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 type 1


(Escherichia coli)
BDBM50405988
PNG
(CHEMBL57343)
Show SMILES CCc1cc(Cc2cnc(N)nc2N)cc(NC(C)=O)c1CO
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)
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9.5n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405956
PNG
(CHEMBL57383)
Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OS(C)(=O)=O
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)
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11n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405998
PNG
(CHEMBL300114)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OS(C)(=O)=O
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)
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16n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50029763
PNG
(5-(3,5-Diethoxy-4-pyrrol-1-yl-benzyl)-pyrimidine-2...)
Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1
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)
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22n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50110758
PNG
(5-(4-(benzyloxy)-3-ethoxybenzyl)pyrimidine-2,4-dia...)
Show SMILES CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1
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)
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45n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405974
PNG
(CHEMBL56129)
Show SMILES Nc1ncc(Cc2ccc3OCOc3c2)c(N)n1
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)
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74n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405984
PNG
(CHEMBL434787)
Show SMILES CS(=O)(=O)Oc1cccc(Cc2cnc(N)nc2N)c1
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)
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120n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50138687
PNG
(5-(4-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Show SMILES Nc1ncc(Cc2ccc(OCc3ccccc3)cc2)c(N)n1
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)
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129n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405964
PNG
(CHEMBL298955)
Show SMILES CS(=O)(=O)Oc1ccc(Cc2cnc(N)nc2N)cc1
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)
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251n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405995
PNG
(CHEMBL31055)
Show SMILES NC(=O)COc1cccc(Cc2cnc(N)nc2N)c1
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)
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269n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291785
PNG
(6,6-Dimethyl-1-(3-m-tolyloxymethyl-phenyl)-1,6-dih...)
Show SMILES Cc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1
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)
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537n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405963
PNG
(CHEMBL19414)
Show SMILES Nc1ncc(Cc2ccc(cc2)[N+]([O-])=O)c(N)n1
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)
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631n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibitory activity against Escherichia coli dihydrofolate reductase


J Med Chem 34: 46-54 (1991)


Article DOI: 10.1021/jm00105a008
BindingDB Entry DOI: 10.7270/Q2X92CH4
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291795
PNG
(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
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)
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646n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291800
PNG
(6,6-Dimethyl-1-(3-undecyloxy-phenyl)-1,6-dihydro-[...)
Show SMILES CCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C
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)
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646n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405099
PNG
(CHEMBL33750)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(NC(N)=S)c2)c1
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)
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676n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405076
PNG
(CHEMBL269704)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccc(Cl)c(Cl)c2)c1
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)
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708n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405037
PNG
(CHEMBL33558)
Show SMILES CC(C)(C)c1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1
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)
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871n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405087
PNG
(CHEMBL7435)
Show SMILES CCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C
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)
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891n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291782
PNG
(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
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)
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891n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291797
PNG
(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
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)
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912n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291783
PNG
(1-[3-(3-Methoxy-phenoxymethyl)-phenyl]-6,6-dimethy...)
Show SMILES COc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1
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)
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955n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291806
PNG
(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
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)
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977n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291789
PNG
(1-[3-(3-Chloro-phenoxymethyl)-phenyl]-6,6-dimethyl...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(Cl)c2)c1
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)
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977n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291778
PNG
(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
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)
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1.02E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291802
PNG
(1-[3-(3-Ethyl-phenoxymethyl)-phenyl]-6,6-dimethyl-...)
Show SMILES CCc1cccc(OCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1
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)
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1.12E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50225441
PNG
(CHEMBL59212)
Show SMILES CCOCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C
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)
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291771
PNG
(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
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)
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1.23E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405069
PNG
(CHEMBL287235)
Show SMILES CCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C
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)
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1.32E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50090054
PNG
(1-(3-Chloro-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(Cl)c1
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)
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1.35E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405083
PNG
(CHEMBL267499)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(F)c1
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)
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1.41E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291801
PNG
(6,6-Dimethyl-1-(3-tetradecyloxy-phenyl)-1,6-dihydr...)
Show SMILES CCCCCCCCCCCCCCOc1cccc(c1)N1C(N)=NC(N)=NC1(C)C
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)
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1.41E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405067
PNG
(CHEMBL32063)
Show SMILES CCCCCCc1cccc(c1)N1C(N)=NC(N)=NC1(C)C
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)
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1.78E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291793
PNG
(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
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)
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2.04E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405089
PNG
(CHEMBL268414)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(I)c1
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)
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2.63E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291779
PNG
(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
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)
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3.09E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405059
PNG
(CHEMBL7070)
Show SMILES Cc1cccc(c1)N1C(N)=NC(N)=NC1(C)C
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)
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3.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291780
PNG
(1-(3-Benzyloxy-phenyl)-6,6-dimethyl-1,6-dihydro-[1...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(OCc2ccccc2)c1
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)
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4.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291798
PNG
(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
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)
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1.91E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50090067
PNG
(6,6-Dimethyl-1-phenyl-1,6-dihydro-[1,3,5]triazine-...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccccc1
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)
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3.09E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291776
PNG
(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
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)
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2.04E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291777
PNG
(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
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)
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3.31E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50405065
PNG
(CHEMBL286571)
Show SMILES Cc1cccc(SCc2cccc(c2)N2C(N)=NC(N)=NC2(C)C)c1
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)
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3.98E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair
Dihydrofolate reductase type 1


(Escherichia coli)
BDBM50291794
PNG
(6,6-Dimethyl-1-(3-phenylsulfanylmethyl-phenyl)-1,6...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1cccc(CSc2ccccc2)c1
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)
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4.37E+8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 28: 1910-6 (1985)


Article DOI: 10.1021/jm00150a026
BindingDB Entry DOI: 10.7270/Q2G44SH3
More data for this
Ligand-Target Pair