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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase' AND taxid = 272623   
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


(Escherichia coli-Mycobacterium avium)
BDBM50165442
PNG
(2-Amino-5-(4-bromo-phenylsulfanyl)-6-methyl-3,7-di...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1
Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165444
PNG
(2-Amino-5-(4-bromo-3-nitro-phenylsulfanyl)-6-methy...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165447
PNG
(2-Amino-5-(3,5-bis-trifluoromethyl-phenylsulfanyl)...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C15H10F6N4OS/c1-5-10(9-11(23-5)24-13(22)25-12(9)26)27-8-3-6(14(16,17)18)2-7(4-8)15(19,20)21/h2-4H,1H3,(H4,22,23,24,25,26)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165450
PNG
(2-Amino-5-(4-bromo-3-chloro-phenylsulfanyl)-6-meth...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)c(Cl)c1
Show InChI InChI=1S/C13H10BrClN4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
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n/an/a>2.60E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165443
PNG
(2-Amino-5-(3,5-dinitro-phenylsulfanyl)-6-methyl-3,...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C13H10N6O5S/c1-5-10(9-11(15-5)16-13(14)17-12(9)20)25-8-3-6(18(21)22)2-7(4-8)19(23)24/h2-4H,1H3,(H4,14,15,16,17,20)
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n/an/a>2.70E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165451
PNG
(2-Amino-6-methyl-5-(4-trifluoromethoxy-phenylsulfa...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C14H11F3N4O2S/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)24-8-4-2-7(3-5-8)23-14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22)
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n/an/a>2.80E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165439
PNG
(2-Amino-5-(3-bromo-phenylsulfanyl)-6-methyl-3,7-di...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(Br)c1
Show InChI InChI=1S/C13H11BrN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
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n/an/a>2.80E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165452
PNG
(2-Amino-5-(4-chloro-3-nitro-phenylsulfanyl)-6-meth...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H10ClN5O3S/c1-5-10(9-11(16-5)17-13(15)18-12(9)20)23-6-2-3-7(14)8(4-6)19(21)22/h2-4H,1H3,(H4,15,16,17,18,20)
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n/an/a>2.80E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165438
PNG
(2-Amino-6-methyl-5-(4-trifluoromethyl-phenylsulfan...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4OS/c1-6-10(9-11(19-6)20-13(18)21-12(9)22)23-8-4-2-7(3-5-8)14(15,16)17/h2-5H,1H3,(H4,18,19,20,21,22)
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n/an/a>2.90E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165440
PNG
(2-Amino-5-(3,5-dichloro-phenylsulfanyl)-6-methyl-3...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C13H10Cl2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
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n/an/a>2.90E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165448
PNG
(2-Amino-5-(3-chloro-4-fluoro-phenylsulfanyl)-6-met...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(Cl)c1
Show InChI InChI=1S/C13H10ClFN4OS/c1-5-10(21-6-2-3-8(15)7(14)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
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n/an/a>3.10E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165445
PNG
(2-Amino-5-(3,5-difluoro-phenylsulfanyl)-6-methyl-3...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cc(F)cc(F)c1
Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-8-3-6(14)2-7(15)4-8)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165449
PNG
(2-Amino-5-(3,4-difluoro-phenylsulfanyl)-6-methyl-3...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)c(F)c1
Show InChI InChI=1S/C13H10F2N4OS/c1-5-10(21-6-2-3-7(14)8(15)4-6)9-11(17-5)18-13(16)19-12(9)20/h2-4H,1H3,(H4,16,17,18,19,20)
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n/an/a>3.20E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165453
PNG
(2-Amino-5-(3-chloro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(Cl)c1
Show InChI InChI=1S/C13H11ClN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165446
PNG
(2-Amino-5-(3-fluoro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1cccc(F)c1
Show InChI InChI=1S/C13H11FN4OS/c1-6-10(20-8-4-2-3-7(14)5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
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n/an/a>3.30E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165437
PNG
(2-Amino-5-(4-fluoro-phenylsulfanyl)-6-methyl-3,7-d...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(F)cc1
Show InChI InChI=1S/C13H11FN4OS/c1-6-10(20-8-4-2-7(14)3-5-8)9-11(16-6)17-13(15)18-12(9)19/h2-5H,1H3,(H4,15,16,17,18,19)
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Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165454
PNG
(4-(2-Amino-6-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2...)
Show SMILES Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc(cc1)C#N
Show InChI InChI=1S/C14H11N5OS/c1-7-11(21-9-4-2-8(6-15)3-5-9)10-12(17-7)18-14(16)19-13(10)20/h2-5H,1H3,(H4,16,17,18,19,20)
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n/an/a>3.40E+4n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM50165441
PNG
(2-{4-[(2,4-Diamino-4,4a-dihydro-pyrido[3,2-d]pyrim...)
Show SMILES CN(Cc1ccc2NC(N)=NC(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C21H25N7O5/c1-28(10-12-4-7-14-17(24-12)18(22)27-21(23)26-14)13-5-2-11(3-6-13)19(31)25-15(20(32)33)8-9-16(29)30/h2-7,15,18H,8-10,22H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H3,23,26,27)
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n/an/a 6.60E+5n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Escherichia coli-Mycobacterium avium)
BDBM18796
PNG
((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...)
Show SMILES Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
Show InChI InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
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n/an/a 2.30E+6n/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli dihydrofolate reductase


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


(Lactococcus lactis subsp. lactis)
BDBM50018474
PNG
(4-(2,4-Diamino-pyrimidin-5-ylmethyl)-2,6-dipropyl-...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1O
Show InChI InChI=1S/C17H24N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h7-8,10,22H,3-6,9H2,1-2H3,(H4,18,19,20,21)
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n/an/a 2.00E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50406032
PNG
(CHEMBL24503 | TCMDC-138048)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC=C)c1O
Show InChI InChI=1S/C17H22N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h3,7-8,10,22H,1,4-6,9H2,2H3,(H4,18,19,20,21)
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n/an/a 2.00E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50406036
PNG
(CHEMBL59470)
Show SMILES Nc1ncc(Cc2cc(CC=C)c(O)c(CC=C)c2)c(N)n1
Show InChI InChI=1S/C17H20N4O/c1-3-5-12-7-11(8-13(6-4-2)15(12)22)9-14-10-20-17(19)21-16(14)18/h3-4,7-8,10,22H,1-2,5-6,9H2,(H4,18,19,20,21)
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n/an/a 2.90E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50406031
PNG
(CHEMBL60821)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(\C=C\C)c1OC
Show InChI InChI=1S/C18H24N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h4,6,8-9,11H,5,7,10H2,1-3H3,(H4,19,20,21,22)/b6-4+
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n/an/a 3.30E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018469
PNG
(5-(4-Methoxy-3,5-dipropenyl-benzyl)-pyrimidine-2,4...)
Show SMILES COc1c(\C=C\C)cc(Cc2cnc(N)nc2N)cc1\C=C\C
Show InChI InChI=1S/C18H22N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h4-9,11H,10H2,1-3H3,(H4,19,20,21,22)/b6-4+,7-5+
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n/an/a 3.60E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018479
PNG
(5-(3-Allyl-4-methoxy-5-propyl-benzyl)-pyrimidine-2...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC=C)c1OC
Show InChI InChI=1S/C18H24N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h4,8-9,11H,1,5-7,10H2,2-3H3,(H4,19,20,21,22)
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n/an/a 4.10E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50406029
PNG
(CHEMBL279455)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CC)c1OC
Show InChI InChI=1S/C17H24N4O/c1-4-6-13-8-11(7-12(5-2)15(13)22-3)9-14-10-20-17(19)21-16(14)18/h7-8,10H,4-6,9H2,1-3H3,(H4,18,19,20,21)
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n/an/a 4.40E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018471
PNG
(5-(3,5-Diallyl-4-methoxy-benzyl)-pyrimidine-2,4-di...)
Show SMILES COc1c(CC=C)cc(Cc2cnc(N)nc2N)cc1CC=C
Show InChI InChI=1S/C18H22N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h4-5,8-9,11H,1-2,6-7,10H2,3H3,(H4,19,20,21,22)
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n/an/a 4.80E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018480
PNG
(5-(4-Methoxy-3,5-dipropyl-benzyl)-pyrimidine-2,4-d...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(CCC)c1OC
Show InChI InChI=1S/C18H26N4O/c1-4-6-13-8-12(9-14(7-5-2)16(13)23-3)10-15-11-21-18(20)22-17(15)19/h8-9,11H,4-7,10H2,1-3H3,(H4,19,20,21,22)
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n/an/a 6.00E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018473
PNG
(2-Allyl-4-(2,4-diamino-pyrimidin-5-ylmethyl)-6-met...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(CC=C)c1O
Show InChI InChI=1S/C15H18N4O2/c1-3-4-10-5-9(7-12(21-2)13(10)20)6-11-8-18-15(17)19-14(11)16/h3,5,7-8,20H,1,4,6H2,2H3,(H4,16,17,18,19)
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n/an/a 6.60E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018477
PNG
(5-(3,4-Dimethoxy-5-propyl-benzyl)-pyrimidine-2,4-d...)
Show SMILES CCCc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C16H22N4O2/c1-4-5-11-6-10(8-13(21-2)14(11)22-3)7-12-9-19-16(18)20-15(12)17/h6,8-9H,4-5,7H2,1-3H3,(H4,17,18,19,20)
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n/an/a 6.70E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018475
PNG
(5-(3,4-Dimethoxy-5-propoxy-benzyl)-pyrimidine-2,4-...)
Show SMILES CCCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C16H22N4O3/c1-4-5-23-13-8-10(7-12(21-2)14(13)22-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
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n/an/a 8.00E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018472
PNG
(5-(3,4-Dimethoxy-5-propenyl-benzyl)-pyrimidine-2,4...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C)c1OC
Show InChI InChI=1S/C16H20N4O2/c1-4-5-11-6-10(8-13(21-2)14(11)22-3)7-12-9-19-16(18)20-15(12)17/h4-6,8-9H,7H2,1-3H3,(H4,17,18,19,20)/b5-4+
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n/an/a 9.30E+9n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018470
PNG
(5-(3-Allyl-4,5-dimethoxy-benzyl)-pyrimidine-2,4-di...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(CC=C)c1OC
Show InChI InChI=1S/C16H20N4O2/c1-4-5-11-6-10(8-13(21-2)14(11)22-3)7-12-9-19-16(18)20-15(12)17/h4,6,8-9H,1,5,7H2,2-3H3,(H4,17,18,19,20)
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Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50406033
PNG
(CHEMBL303075 | TCMDC-137350)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(CC(C)O)c1O
Show InChI InChI=1S/C15H20N4O3/c1-8(20)3-10-4-9(6-12(22-2)13(10)21)5-11-7-18-15(17)19-14(11)16/h4,6-8,20-21H,3,5H2,1-2H3,(H4,16,17,18,19)
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n/an/a 1.40E+10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018476
PNG
(5-(3-Allyloxy-4,5-dimethoxy-benzyl)-pyrimidine-2,4...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OCC=C)c1OC
Show InChI InChI=1S/C16H20N4O3/c1-4-5-23-13-8-10(7-12(21-2)14(13)22-3)6-11-9-19-16(18)20-15(11)17/h4,7-9H,1,5-6H2,2-3H3,(H4,17,18,19,20)
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n/an/a 1.48E+10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50018478
PNG
(5-(3-Ethoxy-4,5-dimethoxy-benzyl)-pyrimidine-2,4-d...)
Show SMILES CCOc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C15H20N4O3/c1-4-22-12-7-9(6-11(20-2)13(12)21-3)5-10-8-18-15(17)19-14(10)16/h6-8H,4-5H2,1-3H3,(H4,16,17,18,19)
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n/an/a 1.70E+10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM50406027
PNG
(CHEMBL412892)
Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OCC=C
Show InChI InChI=1S/C15H18N4O2/c1-3-6-21-12-5-4-10(8-13(12)20-2)7-11-9-18-15(17)19-14(11)16/h3-5,8-9H,1,6-7H2,2H3,(H4,16,17,18,19)
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n/an/a 2.55E+10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Lactococcus lactis subsp. lactis)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/a 4.50E+10n/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of dihydrofolate reductase enzymes in Neisseria gonorrhoeae


J Med Chem 32: 1949-58 (1989)

More data for this
Ligand-Target Pair