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Found 177 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' AND taxid = 1764   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18229
PNG
(5-[3-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCC(O)=O
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)10-14-9-13(7-8-16(14)29-2)5-3-4-6-17(27)28/h7-9,11H,4,6,10H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
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n/an/a 0.0570n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18225
PNG
(2,4-diamino-5-deazapteridine, 4 | 4-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(5-6-15(12)28-2)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
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n/an/a 0.260n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18226
PNG
(2,4-diamino-5-deazapteridine, 5 | 5-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C21H25N5O4/c1-12-14(11-24-20-18(12)19(22)25-21(23)26-20)9-13-10-15(6-7-16(13)29-2)30-8-4-3-5-17(27)28/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
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n/an/a 0.290n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18228
PNG
(4-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(OCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C20H23N5O4/c1-11-13(10-23-19-17(11)18(21)24-20(22)25-19)8-12-9-14(28-2)5-6-15(12)29-7-3-4-16(26)27/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,26,27)(H4,21,22,23,24,25)
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n/an/a 0.320n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18227
PNG
(2,4-diamino-5-deazapteridine, 6 | 6-[3-({2,4-diami...)
Show SMILES COc1ccc(OCCCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C22H27N5O4/c1-13-15(12-25-21-19(13)20(23)26-22(24)27-21)10-14-11-16(7-8-17(14)30-2)31-9-5-3-4-6-18(28)29/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
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n/an/a 0.350n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18237
PNG
(5-{2-bromo-5-[(2,4-diaminopyrimidin-5-yl)methyl]-3...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(C#CCCC(O)=O)c1Br
Show InChI InChI=1S/C17H17BrN4O3/c1-25-13-8-10(7-12-9-21-17(20)22-16(12)19)6-11(15(13)18)4-2-3-5-14(23)24/h6,8-9H,3,5,7H2,1H3,(H,23,24)(H4,19,20,21,22)
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n/an/a 0.470n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18232
PNG
(5-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(C#CCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C21H21N5O3/c1-12-15(11-24-20-18(12)19(22)25-21(23)26-20)9-14-10-16(29-2)8-7-13(14)5-3-4-6-17(27)28/h7-8,10-11H,4,6,9H2,1-2H3,(H,27,28)(H4,22,23,24,25,26)
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n/an/a 0.570n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 0.610n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 0.610n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18224
PNG
(6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3...)
Show SMILES COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C17H19N5O2/c1-9-11(6-10-7-12(23-2)4-5-13(10)24-3)8-20-16-14(9)15(18)21-17(19)22-16/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,21,22)
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n/an/a 0.610n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18231
PNG
(2,4-diamino-5-deazapteridine, 2 | 7-[3-({2,4-diami...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCCC(O)=O
Show InChI InChI=1S/C23H25N5O3/c1-14-17(13-26-22-20(14)21(24)27-23(25)28-22)12-16-11-15(9-10-18(16)31-2)7-5-3-4-6-8-19(29)30/h9-11,13H,3-4,6,8,12H2,1-2H3,(H,29,30)(H4,24,25,26,27,28)
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n/an/a 0.690n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18243
PNG
(6-[(5-iodo-2-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(17)3-4-12(9)23-2)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 0.920n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50253581
PNG
(2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-ethylamin...)
Show SMILES CCN(Cc1cc(OC)ccc1OC)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C19H23N5O2/c1-4-24(11-12-9-14(25-2)6-8-17(12)26-3)13-5-7-16-15(10-13)18(20)23-19(21)22-16/h5-10H,4,11H2,1-3H3,(H4,20,21,22,23)
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n/an/a 0.980n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18230
PNG
(2,4-diamino-5-deazapteridine, 10 | 6-[3-({2,4-diam...)
Show SMILES COc1ccc(cc1Cc1cnc2nc(N)nc(N)c2c1C)C#CCCCC(O)=O
Show InChI InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)11-15-10-14(8-9-17(15)30-2)6-4-3-5-7-18(28)29/h8-10,12H,3,5,7,11H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
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n/an/a 1n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50253578
PNG
(2,4-Diamino-6-[N-(benzyl)-N-ethylamino]quinazoline...)
Show SMILES CCN(Cc1ccccc1)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C17H19N5/c1-2-22(11-12-6-4-3-5-7-12)13-8-9-15-14(10-13)16(18)21-17(19)20-15/h3-10H,2,11H2,1H3,(H4,18,19,20,21)
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n/an/a 1.10n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18233
PNG
(6-[2-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-...)
Show SMILES COc1ccc(C#CCCCC(O)=O)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C22H23N5O3/c1-13-16(12-25-21-19(13)20(23)26-22(24)27-21)10-15-11-17(30-2)9-8-14(15)6-4-3-5-7-18(28)29/h8-9,11-12H,3,5,7,10H2,1-2H3,(H,28,29)(H4,23,24,25,26,27)
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n/an/a 1.30n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dihydrofolate reductase from Mycobacterium avium (M. avium)


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium DHFR at 37 degC by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18268
PNG
(5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}...)
Show SMILES COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
Show InChI InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)
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n/an/a 1.5n/an/an/an/a7.437



Duquesne University



Assay Description
Enzymatic activities were determined by monitoring the oxidation of NADPH at 340 nm using a 96-well microtiter plate reading spectrophotometer.


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18238
PNG
(2,4-diamino-5-deazapteridine, 7 | Piritrexim analo...)
Show SMILES CCOC(=O)CCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-16-7-8-17(29-3)14(11-16)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27)
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n/an/a 1.80n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18244
PNG
(6-[(2-iodo-5-methoxyphenyl)methyl]-5-methylpyrido[...)
Show SMILES COc1ccc(I)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C16H16IN5O/c1-8-10(5-9-6-11(23-2)3-4-12(9)17)7-20-15-13(8)14(18)21-16(19)22-15/h3-4,6-7H,5H2,1-2H3,(H4,18,19,20,21,22)
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n/an/a 1.80n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50253580
PNG
(2,4-Diamino-6-[N-(beta-naphthyl)-N-ethylamino]quin...)
Show SMILES CCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C21H21N5/c1-2-26(13-14-7-8-15-5-3-4-6-16(15)11-14)17-9-10-19-18(12-17)20(22)25-21(23)24-19/h3-12H,2,13H2,1H3,(H4,22,23,24,25)
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n/an/a 2.30n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50142877
PNG
(2,4-DIAMINO-5-[3',4'-DIMETHOXY-5'-(5-CARBOXYL-1-PE...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(C#CCCCC(O)=O)c1OC
Show InChI InChI=1S/C19H22N4O4/c1-26-15-10-12(9-14-11-22-19(21)23-18(14)20)8-13(17(15)27-2)6-4-3-5-7-16(24)25/h8,10-11H,3,5,7,9H2,1-2H3,(H,24,25)(H4,20,21,22,23)
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n/an/a 2.40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18223
PNG
(6-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4,5-dimet...)
Show SMILES COc1cc(cc(Cc2cnc(N)nc2N)c1OC)C#CCCCC(O)=O
Show InChI InChI=1S/C19H22N4O4/c1-26-15-9-12(6-4-3-5-7-16(24)25)8-13(17(15)27-2)10-14-11-22-19(21)23-18(14)20/h8-9,11H,3,5,7,10H2,1-2H3,(H,24,25)(H4,20,21,22,23)
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n/an/a 2.40n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18235
PNG
(5-{2-[(2,4-diaminopteridin-6-yl)methyl]-2-azatricy...)
Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(ccc34)C#CCCC(O)=O)cnc2n1
Show InChI InChI=1S/C26H21N7O2/c27-24-23-25(32-26(28)31-24)29-14-19(30-23)15-33-20-7-3-2-6-17(20)10-11-18-13-16(9-12-21(18)33)5-1-4-8-22(34)35/h2-3,6-7,9-14H,4,8,15H2,(H,34,35)(H4,27,28,29,31,32)
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n/an/a 2.90n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50253579
PNG
(2,4-Diamino-6-[N-(alpha-naphthyl)-N-ethylamino]qui...)
Show SMILES CCN(Cc1cccc2ccccc12)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C21H21N5/c1-2-26(13-15-8-5-7-14-6-3-4-9-17(14)15)16-10-11-19-18(12-16)20(22)25-21(23)24-19/h3-12H,2,13H2,1H3,(H4,22,23,24,25)
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n/an/a 2.90n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50253612
PNG
(2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-propylami...)
Show SMILES CCCN(Cc1cc(OC)ccc1OC)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C20H25N5O2/c1-4-9-25(12-13-10-15(26-2)6-8-18(13)27-3)14-5-7-17-16(11-14)19(21)24-20(22)23-17/h5-8,10-11H,4,9,12H2,1-3H3,(H4,21,22,23,24)
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n/an/a 3.30n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50141009
PNG
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C21H18N4O3/c1-28-18-9-6-14(3-2-13-4-7-15(8-5-13)20(26)27)10-16(18)11-17-12-24-21(23)25-19(17)22/h4-10,12H,11H2,1H3,(H,26,27)(H4,22,23,24,25)
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n/an/a 3.70n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50127148
PNG
(5-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCCC(O)=O
Show InChI InChI=1S/C17H18N4O3/c1-24-14-7-6-11(4-2-3-5-15(22)23)8-12(14)9-13-10-20-17(19)21-16(13)18/h6-8,10H,3,5,9H2,1H3,(H,22,23)(H4,18,19,20,21)
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n/an/a 4.40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50108176
PNG
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)
Show SMILES COc1ccc(OCCCC(O)=O)cc1Cc1cnc(N)nc1N
Show InChI InChI=1S/C16H20N4O4/c1-23-13-5-4-12(24-6-2-3-14(21)22)8-10(13)7-11-9-19-16(18)20-15(11)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,21,22)(H4,17,18,19,20)
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n/an/a 4.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of partially purified dihydrofolate reductase (DHFR) from Mycobacterium avium (Ma)


J Med Chem 45: 233-41 (2001)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50108176
PNG
(4-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)
Show SMILES COc1ccc(OCCCC(O)=O)cc1Cc1cnc(N)nc1N
Show InChI InChI=1S/C16H20N4O4/c1-23-13-5-4-12(24-6-2-3-14(21)22)8-10(13)7-11-9-19-16(18)20-15(11)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,21,22)(H4,17,18,19,20)
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n/an/a 4.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Dihydrohydrofolate reductase (DHFR) of Mycobacterium avium


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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n/an/a 5.10n/an/an/an/a7.030



Oklahoma State University at Stillwater



Assay Description
Activity was measured as a change in absorbance over time at a wavelength of 340 nm (A340), so as to monitor the disappearance of NADPH. After incuba...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18242
PNG
(Piritrexim analogue, 45 | ethyl 4-[2-({2,4-diamino...)
Show SMILES CCOC(=O)CCCOc1ccc(OC)cc1Cc1cnc2nc(N)nc(N)c2c1C
Show InChI InChI=1S/C22H27N5O4/c1-4-30-18(28)6-5-9-31-17-8-7-16(29-3)11-14(17)10-15-12-25-21-19(13(15)2)20(23)26-22(24)27-21/h7-8,11-12H,4-6,9-10H2,1-3H3,(H4,23,24,25,26,27)
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n/an/a 5.60n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18510
PNG
(5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...)
Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N
Show InChI InChI=1S/C17H22N4O4/c1-24-14-6-5-13(25-7-3-2-4-15(22)23)9-11(14)8-12-10-20-17(19)21-16(12)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)(H4,18,19,20,21)
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n/an/a 5.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18510
PNG
(5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...)
Show SMILES COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N
Show InChI InChI=1S/C17H22N4O4/c1-24-14-6-5-13(25-7-3-2-4-15(22)23)9-11(14)8-12-10-20-17(19)21-16(12)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,22,23)(H4,18,19,20,21)
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n/an/a 5.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of partially purified dihydrofolate reductase (DHFR) from Mycobacterium avium (Ma)


J Med Chem 45: 233-41 (2001)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18236
PNG
(6-{2-[(2,4-diaminopteridin-6-yl)methyl]-2-azatricy...)
Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4cc(ccc34)C#CCCCC(O)=O)cnc2n1
Show InChI InChI=1S/C27H23N7O2/c28-25-24-26(33-27(29)32-25)30-15-20(31-24)16-34-21-8-5-4-7-18(21)11-12-19-14-17(10-13-22(19)34)6-2-1-3-9-23(35)36/h4-5,7-8,10-15H,1,3,9,16H2,(H,35,36)(H4,28,29,30,32,33)
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n/an/a 6.30n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50127145
PNG
(6-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCCCC(O)=O
Show InChI InChI=1S/C18H20N4O3/c1-25-15-8-7-12(5-3-2-4-6-16(23)24)9-13(15)10-14-11-21-18(20)22-17(14)19/h7-9,11H,2,4,6,10H2,1H3,(H,23,24)(H4,19,20,21,22)
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n/an/a 7.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50127145
PNG
(6-[3-(2,4-Diamino-pyrimidin-5-ylmethyl)-4-methoxy-...)
Show SMILES COc1ccc(cc1Cc1cnc(N)nc1N)C#CCCCC(O)=O
Show InChI InChI=1S/C18H20N4O3/c1-25-15-8-7-12(5-3-2-4-6-16(23)24)9-13(15)10-14-11-21-18(20)22-17(14)19/h7-9,11H,2,4,6,10H2,1H3,(H,23,24)(H4,19,20,21,22)
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n/an/a 7.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50142876
PNG
(4-[5-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,3-dimeth...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(C#Cc2ccc(cc2)C(O)=O)c1OC
Show InChI InChI=1S/C22H20N4O4/c1-29-18-11-14(10-17-12-25-22(24)26-20(17)23)9-16(19(18)30-2)8-5-13-3-6-15(7-4-13)21(27)28/h3-4,6-7,9,11-12H,10H2,1-2H3,(H,27,28)(H4,23,24,25,26)
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n/an/a 8.20n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18241
PNG
(6-{[2-(benzyloxy)-5-methoxyphenyl]methyl}-5-methyl...)
Show SMILES COc1ccc(OCc2ccccc2)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C23H23N5O2/c1-14-17(12-26-22-20(14)21(24)27-23(25)28-22)10-16-11-18(29-2)8-9-19(16)30-13-15-6-4-3-5-7-15/h3-9,11-12H,10,13H2,1-2H3,(H4,24,25,26,27,28)
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n/an/a 8.60n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18239
PNG
(2,4-diamino-5-deazapteridine, 8 | Piritrexim analo...)
Show SMILES CCOC(=O)CCCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C23H29N5O4/c1-4-31-19(29)7-5-6-10-32-17-8-9-18(30-3)15(12-17)11-16-13-26-22-20(14(16)2)21(24)27-23(25)28-22/h8-9,12-13H,4-7,10-11H2,1-3H3,(H4,24,25,26,27,28)
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n/an/a 9.40n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50310338
PNG
(CHEMBL596672 | N-[4-[(2,4-Diamino-5-methyl-furo[2,...)
Show SMILES Cc1c(Sc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)oc2nc(N)nc(N)c12
Show InChI InChI=1S/C19H19N5O6S/c1-8-13-14(20)23-19(21)24-16(13)30-18(8)31-10-4-2-9(3-5-10)15(27)22-11(17(28)29)6-7-12(25)26/h2-5,11H,6-7H2,1H3,(H,22,27)(H,25,26)(H,28,29)(H4,20,21,23,24)/t11-/m0/s1
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n/an/a 9.73n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium DHFR at 37 degC by spectrophotometry


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18506
PNG
(6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8...)
Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc34)cnc2n1
Show InChI InChI=1S/C21H17N7/c22-19-18-20(27-21(23)26-19)24-11-15(25-18)12-28-16-7-3-1-5-13(16)9-10-14-6-2-4-8-17(14)28/h1-11H,12H2,(H4,22,23,24,26,27)
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n/an/a 12n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Mycobacterium avium


J Med Chem 42: 4853-60 (1999)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18240
PNG
(2,4-diamino-5-deazapteridine, 9 | Piritrexim analo...)
Show SMILES CCOC(=O)CCCCCOc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Show InChI InChI=1S/C24H31N5O4/c1-4-32-20(30)8-6-5-7-11-33-18-9-10-19(31-3)16(13-18)12-17-14-27-23-21(15(17)2)22(25)28-24(26)29-23/h9-10,13-14H,4-8,11-12H2,1-3H3,(H4,25,26,27,28,29)
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n/an/a 12n/an/an/an/a7.437



Harvard Medical School



Assay Description
Dihydrofolate reductase was assayed with no inhibitor and with a series of concentrations of inhibitors to allow for a range of inhibition from 10 to...


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Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50253613
PNG
(2,4-Diamino-6-[N-(beta-naphthyl)-N-propylamino]qui...)
Show SMILES CCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C22H23N5/c1-2-11-27(14-15-7-8-16-5-3-4-6-17(16)12-15)18-9-10-20-19(13-18)21(23)26-22(24)25-20/h3-10,12-13H,2,11,14H2,1H3,(H4,23,24,25,26)
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n/an/a 13n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium dihydrofolate reductase


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More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50253611
PNG
(2,4-Diamino-6-[N-(2,3,5-trichlorobenzyl)-N-ethylam...)
Show SMILES CCN(Cc1cc(Cl)cc(Cl)c1Cl)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C17H16Cl3N5/c1-2-25(8-9-5-10(18)6-13(19)15(9)20)11-3-4-14-12(7-11)16(21)24-17(22)23-14/h3-7H,2,8H2,1H3,(H4,21,22,23,24)
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n/an/a 14n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium dihydrofolate reductase


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More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM18511
PNG
(6-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxy...)
Show SMILES COc1ccc(CCCCCC(O)=O)cc1Cc1cnc(N)nc1N
Show InChI InChI=1S/C18H24N4O3/c1-25-15-8-7-12(5-3-2-4-6-16(23)24)9-13(15)10-14-11-21-18(20)22-17(14)19/h7-9,11H,2-6,10H2,1H3,(H,23,24)(H4,19,20,21,22)
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n/an/a 16n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of Dihydrohydrofolate reductase(DHFR) of Mycobacterium avium


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More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50253614
PNG
(2,4-Diamino-6-[N-(2,5-dimethoxybenzyl)-N-cycloprop...)
Show SMILES CCCCN(Cc1cc(OC)ccc1OC)c1ccc2nc(N)nc(N)c2c1
Show InChI InChI=1S/C21H27N5O2/c1-4-5-10-26(13-14-11-16(27-2)7-9-19(14)28-3)15-6-8-18-17(12-15)20(22)25-21(23)24-18/h6-9,11-12H,4-5,10,13H2,1-3H3,(H4,22,23,24,25)
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n/an/a 16n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium avium dihydrofolate reductase


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50082923
PNG
(6-(9H-Acridin-10-ylmethyl)-pteridine-2,4-diamine |...)
Show SMILES Nc1nc(N)c2nc(CN3c4ccccc4Cc4ccccc34)cnc2n1
Show InChI InChI=1S/C20H17N7/c21-18-17-19(26-20(22)25-18)23-10-14(24-17)11-27-15-7-3-1-5-12(15)9-13-6-2-4-8-16(13)27/h1-8,10H,9,11H2,(H4,21,22,23,25,26)
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n/an/a 17n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against DHFR (Dihydrofolate reductase) from Mycobacterium avium


J Med Chem 42: 4853-60 (1999)

More data for this
Ligand-Target Pair
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