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Found 294 hits Enz. Inhib. hit(s) with Target = 'Dihydrofolate reductase (DHFR)' AND taxid = 5476   
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 (DHFR)


(Candida albicans)
BDBM50049912
PNG
(7-(1,1-Dimethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]...)
Show SMILES CCC(C)(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-5-16(3,4)21-9(2)8-10-12(21)7-6-11-13(10)14(17)20-15(18)19-11/h6-8H,5H2,1-4H3,(H4,17,18,19,20)
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PubMed
0.00710n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049905
PNG
(7-(1-Ethyl-propyl)-8-methyl-7H-pyrrolo[3,2-f]quina...)
Show SMILES CCC(CC)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C16H21N5/c1-4-10(5-2)21-9(3)8-11-13(21)7-6-12-14(11)15(17)20-16(18)19-12/h6-8,10H,4-5H2,1-3H3,(H4,17,18,19,20)
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PubMed
0.0300n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049911
PNG
(8-tert-Butyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diam...)
Show SMILES CC(C)(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1
Show InChI InChI=1S/C14H17N5/c1-14(2,3)10-6-7-8(17-10)4-5-9-11(7)12(15)19-13(16)18-9/h4-6,17H,1-3H3,(H4,15,16,18,19)
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0.120n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049898
PNG
(8-Isopropyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...)
Show SMILES CC(C)c1cc2c(ccc3nc(N)nc(N)c23)[nH]1
Show InChI InChI=1S/C13H15N5/c1-6(2)10-5-7-8(16-10)3-4-9-11(7)12(14)18-13(15)17-9/h3-6,16H,1-2H3,(H4,14,15,17,18)
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0.160n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049899
PNG
(7-Isopropyl-8-methyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CC(C)n1c(C)cc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C14H17N5/c1-7(2)19-8(3)6-9-11(19)5-4-10-12(9)13(15)18-14(16)17-10/h4-7H,1-3H3,(H4,15,16,17,18)
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0.220n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM18043
PNG
(1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QU...)
Show SMILES CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
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0.220n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049914
PNG
(7-(3,4,5-Trimethoxy-benzyl)-7H-pyrrolo[3,2-f]quina...)
Show SMILES COc1cc(Cn2ccc3c2ccc2nc(N)nc(N)c32)cc(OC)c1OC
Show InChI InChI=1S/C20H21N5O3/c1-26-15-8-11(9-16(27-2)18(15)28-3)10-25-7-6-12-14(25)5-4-13-17(12)19(21)24-20(22)23-13/h4-9H,10H2,1-3H3,(H4,21,22,23,24)
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0.230n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049902
PNG
(7,8-Diethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diami...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1CC
Show InChI InChI=1S/C14H17N5/c1-3-8-7-9-11(19(8)4-2)6-5-10-12(9)13(15)18-14(16)17-10/h5-7H,3-4H2,1-2H3,(H4,15,16,17,18)
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0.330n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049913
PNG
(7-Ethyl-8-isopropyl-7H-pyrrolo[3,2-f]quinazoline-1...)
Show SMILES CCn1c(cc2c1ccc1nc(N)nc(N)c21)C(C)C
Show InChI InChI=1S/C15H19N5/c1-4-20-11-6-5-10-13(14(16)19-15(17)18-10)9(11)7-12(20)8(2)3/h5-8H,4H2,1-3H3,(H4,16,17,18,19)
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0.330n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049896
PNG
(8-Butyl-7-tert-butyl-7H-pyrrolo[3,2-f]quinazoline-...)
Show SMILES CCCCc1cc2c(ccc3nc(N)nc(N)c23)n1C(C)(C)C
Show InChI InChI=1S/C18H25N5/c1-5-6-7-11-10-12-14(23(11)18(2,3)4)9-8-13-15(12)16(19)22-17(20)21-13/h8-10H,5-7H2,1-4H3,(H4,19,20,21,22)
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0.380n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049910
PNG
(7-Ethyl-8-propyl-7H-pyrrolo[3,2-f]quinazoline-1,3-...)
Show SMILES CCCc1cc2c(ccc3nc(N)nc(N)c23)n1CC
Show InChI InChI=1S/C15H19N5/c1-3-5-9-8-10-12(20(9)4-2)7-6-11-13(10)14(16)19-15(17)18-11/h6-8H,3-5H2,1-2H3,(H4,16,17,18,19)
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0.650n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049915
PNG
(8-Ethyl-7-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-...)
Show SMILES CCc1cc2c(ccc3nc(N)nc(N)c23)n1C
Show InChI InChI=1S/C13H15N5/c1-3-7-6-8-10(18(7)2)5-4-9-11(8)12(14)17-13(15)16-9/h4-6H,3H2,1-2H3,(H4,14,15,16,17)
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1.30n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
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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1.90n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
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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1.90n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049908
PNG
(7,8-Dimethyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diam...)
Show SMILES Cc1cc2c(ccc3nc(N)nc(N)c23)n1C
Show InChI InChI=1S/C12H13N5/c1-6-5-7-9(17(6)2)4-3-8-10(7)11(13)16-12(14)15-8/h3-5H,1-2H3,(H4,13,14,15,16)
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2n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049904
PNG
(7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine | CHEMBL3...)
Show SMILES Nc1nc(N)c2c3cc[nH]c3ccc2n1
Show InChI InChI=1S/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4,13H,(H4,11,12,14,15)
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23n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50049900
PNG
(7-Methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine ...)
Show SMILES Cn1ccc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C11H11N5/c1-16-5-4-6-8(16)3-2-7-9(6)10(12)15-11(13)14-7/h2-5H,1H3,(H4,12,13,14,15)
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25n/an/an/an/an/an/an/an/a



Wellcome Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Dihydrofolate reductase enzyme from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50391257
PNG
(CHEMBL30938 | Ro-17-3279)
Show SMILES COc1cc(OC)cc(c1)N1C2CCC1CC(C2)c1cnc(N)nc1N
Show InChI InChI=1S/C19H25N5O2/c1-25-15-7-14(8-16(9-15)26-2)24-12-3-4-13(24)6-11(5-12)17-10-22-19(21)23-18(17)20/h7-13H,3-6H2,1-2H3,(H4,20,21,22,23)
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n/an/a 0.240n/an/an/an/an/an/a



Leibniz Center for Medicine and Biosciences

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Mycobacterium lufu


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
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 2.20n/an/an/an/an/an/a



Leibniz Center for Medicine and Biosciences

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50391265
PNG
(CHEMBL176217 | KC-1308)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCCCNc1ccc(cc1)N(C)C
Show InChI InChI=1S/C24H32N6O3/c1-30(2)19-8-6-18(7-9-19)27-10-5-11-33-22-20(31-3)13-16(14-21(22)32-4)12-17-15-28-24(26)29-23(17)25/h6-9,13-15,27H,5,10-12H2,1-4H3,(H4,25,26,28,29)
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n/an/a 2.70n/an/an/an/an/an/a



Leibniz Center for Medicine and Biosciences

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50407497
PNG
(CHEMBL121669)
Show SMILES CC(C)COc1ccc2nc(N)nc(N)c2c1Sc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C22H28N4OS/c1-13(2)12-27-17-11-10-16-18(20(23)26-21(24)25-16)19(17)28-15-8-6-14(7-9-15)22(3,4)5/h6-11,13H,12H2,1-5H3,(H4,23,24,25,26)
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n/an/a 3n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Candida albicans (in vitro).


J Med Chem 38: 3608-16 (1995)

More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM18043
PNG
(1,3-DIAMINO-7-(1-ETHYEPROPYE)-7H-PYRRALO-[3,2-F]QU...)
Show SMILES CCC(CC)n1ccc2c1ccc1nc(N)nc(N)c21
Show InChI InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
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PubMed
n/an/a 4n/an/an/an/a6.430



GSK



Assay Description
IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...


J Med Chem 44: 2928-32 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM18047
PNG
(5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDI...)
Show SMILES CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Show InChI InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)
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n/an/a 8n/an/an/an/a6.430



GSK



Assay Description
IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...


J Med Chem 44: 2928-32 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM18047
PNG
(5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDI...)
Show SMILES CC(C)(C)c1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Show InChI InChI=1S/C18H20N4S/c1-18(2,3)11-7-9-12(10-8-11)23-14-6-4-5-13-15(14)16(19)22-17(20)21-13/h4-10H,1-3H3,(H4,19,20,21,22)
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n/an/a 8n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Candida albicans (in vitro).


J Med Chem 38: 3608-16 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50391245
PNG
(CHEMBL425506 | K-220)
Show SMILES COc1cc(Cc2cnc(N)nc2N)ccc1OCCNc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C26H28N6O4S/c1-35-24-15-17(14-18-16-31-26(29)32-25(18)28)2-11-23(24)36-13-12-30-20-5-9-22(10-6-20)37(33,34)21-7-3-19(27)4-8-21/h2-11,15-16,30H,12-14,27H2,1H3,(H4,28,29,31,32)
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n/an/a 9n/an/an/an/an/an/a



Leibniz Center for Medicine and Biosciences

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298811
PNG
((S)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)bu...)
Show SMILES COc1cc(cc(c1)-c1cc(C)cc(C)c1)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)/t16-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298801
PNG
((+/-)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)...)
Show SMILES COc1cc(cc(c1)-c1cc(C)cc(C)c1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)
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n/an/a 17n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298810
PNG
((R)-5-(3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)bu...)
Show SMILES COc1cc(cc(c1)-c1cc(C)cc(C)c1)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C24H26N4O/c1-14-8-15(2)10-19(9-14)20-11-18(12-21(13-20)29-5)16(3)6-7-22-17(4)27-24(26)28-23(22)25/h8-13,16H,1-5H3,(H4,25,26,27,28)/t16-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50429695
PNG
(CHEMBL2335421)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1cccc2cnccc12
Show InChI InChI=1S/C26H25N5O/c1-4-24-23(25(27)31-26(28)30-24)9-8-16(2)18-12-19(14-20(13-18)32-3)21-7-5-6-17-15-29-11-10-22(17)21/h5-7,10-16H,4H2,1-3H3,(H4,27,28,30,31)
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n/an/a 17n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM26521
PNG
(6-ethyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-y...)
Show SMILES CCc1nc(N)nc(N)c1C#CCc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H22N4O3/c1-5-13-12(17(19)22-18(20)21-13)8-6-7-11-9-14(23-2)16(25-4)15(10-11)24-3/h9-10H,5,7H2,1-4H3,(H4,19,20,21,22)
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n/an/a 18n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50007898
PNG
(CHEMBL3234317)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1ccc(cc1OC)-c1ccc(OC(N)=O)cc1
Show InChI InChI=1S/C24H25N5O3/c1-4-20-19(22(25)29-23(26)28-20)11-5-14(2)18-12-8-16(13-21(18)31-3)15-6-9-17(10-7-15)32-24(27)30/h6-10,12-14H,4H2,1-3H3,(H2,27,30)(H4,25,26,28,29)
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n/an/a 18n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298805
PNG
((+/-)-6-ethyl-5-(3-(3,4,5-trimethoxyphenyl)but-1-y...)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H24N4O3/c1-6-14-13(18(20)23-19(21)22-14)8-7-11(2)12-9-15(24-3)17(26-5)16(10-12)25-4/h9-11H,6H2,1-5H3,(H4,20,21,22,23)
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n/an/a 20n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298812
PNG
((R)-6-ethyl-5-(3-(3,4,5-trimethoxyphenyl)but-1-yny...)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H24N4O3/c1-6-14-13(18(20)23-19(21)22-14)8-7-11(2)12-9-15(24-3)17(26-5)16(10-12)25-4/h9-11H,6H2,1-5H3,(H4,20,21,22,23)/t11-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298813
PNG
((S)-6-ethyl-5-(3-(3,4,5-trimethoxyphenyl)but-1-yny...)
Show SMILES CCc1nc(N)nc(N)c1C#C[C@@H](C)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H24N4O3/c1-6-14-13(18(20)23-19(21)22-14)8-7-11(2)12-9-15(24-3)17(26-5)16(10-12)25-4/h9-11H,6H2,1-5H3,(H4,20,21,22,23)/t11-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50329607
PNG
(5-(3-(3-methoxybiphenyl-4-yl)but-1-ynyl)-6-methylp...)
Show SMILES COc1cc(ccc1C(C)C#Cc1c(C)nc(N)nc1N)-c1ccccc1
Show InChI InChI=1S/C22H22N4O/c1-14(9-11-19-15(2)25-22(24)26-21(19)23)18-12-10-17(13-20(18)27-3)16-7-5-4-6-8-16/h4-8,10,12-14H,1-3H3,(H4,23,24,25,26)
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n/an/a 20n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50407495
PNG
(CHEMBL330868)
Show SMILES COc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Show InChI InChI=1S/C15H14N4OS/c1-20-9-5-7-10(8-6-9)21-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
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n/an/a 20n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Candida albicans (in vitro).


J Med Chem 38: 3608-16 (1995)

More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50429700
PNG
(CHEMBL2335416)
Show SMILES COc1cc(cc(c1)N1CCOCC1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C20H25N5O2/c1-13(4-5-18-14(2)23-20(22)24-19(18)21)15-10-16(12-17(11-15)26-3)25-6-8-27-9-7-25/h10-13H,6-9H2,1-3H3,(H4,21,22,23,24)
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n/an/a 21n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298815
PNG
((S)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-y...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)[C@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)/t15-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298814
PNG
((R)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-y...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)[C@@H](C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)/t15-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298800
PNG
((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)
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n/an/a 22n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50298800
PNG
((+/-)-5-(3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1...)
Show SMILES COc1cc(cc(c1)-c1ccc(C)cc1)C(C)C#Cc1c(C)nc(N)nc1N
Show InChI InChI=1S/C23H24N4O/c1-14-5-8-17(9-6-14)19-11-18(12-20(13-19)28-4)15(2)7-10-21-16(3)26-23(25)27-22(21)24/h5-6,8-9,11-13,15H,1-4H3,(H4,24,25,26,27)
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n/an/a 22n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR expressed in Escherichia coli BL21 (DE3) assessed as rate of NADPH consumption using dihydrofolate as susbtrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50429699
PNG
(CHEMBL2335417)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)N1CCOCC1
Show InChI InChI=1S/C21H27N5O2/c1-4-19-18(20(22)25-21(23)24-19)6-5-14(2)15-11-16(13-17(12-15)27-3)26-7-9-28-10-8-26/h11-14H,4,7-10H2,1-3H3,(H4,22,23,24,25)
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n/an/a 23n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50391228
PNG
(CHEMBL369645)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H25N5O4/c1-32-19-9-8-15(12-16-14-27-24(26)28-21(16)25)13-20(19)33-11-5-4-10-29-22(30)17-6-2-3-7-18(17)23(29)31/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H4,25,26,27,28)
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n/an/a 23n/an/an/an/an/an/a



Leibniz Center for Medicine and Biosciences

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50429693
PNG
(CHEMBL2335423)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1cc(OC)cc(c1)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C25H26N4O3/c1-4-21-20(24(26)29-25(27)28-21)7-5-15(2)17-11-18(13-19(12-17)30-3)16-6-8-22-23(14-16)32-10-9-31-22/h6,8,11-15H,4,9-10H2,1-3H3,(H4,26,27,28,29)
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n/an/a 23n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM18046
PNG
(5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, ...)
Show SMILES Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Show InChI InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
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n/an/a 23n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Candida albicans (in vitro).


J Med Chem 38: 3608-16 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM18046
PNG
(5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, ...)
Show SMILES Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Show InChI InChI=1S/C15H14N4S/c1-9-5-7-10(8-6-9)20-12-4-2-3-11-13(12)14(16)19-15(17)18-11/h2-8H,1H3,(H4,16,17,18,19)
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n/an/a 23n/an/an/an/a6.430



GSK



Assay Description
IC50 is the concentration of inhibitor that decreases the velocity of the standard assay by 50%. The enzyme, NADPH, and varying concentrations of inh...


J Med Chem 44: 2928-32 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50391228
PNG
(CHEMBL369645)
Show SMILES COc1ccc(Cc2cnc(N)nc2N)cc1OCCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H25N5O4/c1-32-19-9-8-15(12-16-14-27-24(26)28-21(16)25)13-20(19)33-11-5-4-10-29-22(30)17-6-2-3-7-18(17)23(29)31/h2-3,6-9,13-14H,4-5,10-12H2,1H3,(H4,25,26,27,28)
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n/an/a 23n/an/an/an/an/an/a



Leibniz Center for Medicine and Biosciences

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate redutase (DHFR) from Escherichia coli


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50007902
PNG
(CHEMBL3234321)
Show SMILES CCc1nc(N)nc(N)c1C#CC(C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H22N4/c1-3-20-19(21(23)26-22(24)25-20)14-9-15(2)16-10-12-18(13-11-16)17-7-5-4-6-8-17/h4-8,10-13,15H,3H2,1-2H3,(H4,23,24,25,26)
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n/an/a 23n/an/an/an/an/an/a



University of Connecticut

Curated by ChEMBL


Assay Description
Inhibition of Candida albicans DHFR using dihydrofolate as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50391257
PNG
(CHEMBL30938 | Ro-17-3279)
Show SMILES COc1cc(OC)cc(c1)N1C2CCC1CC(C2)c1cnc(N)nc1N
Show InChI InChI=1S/C19H25N5O2/c1-25-15-7-14(8-16(9-15)26-2)24-12-3-4-13(24)6-11(5-12)17-10-22-19(21)23-18(17)20/h7-13H,3-6H2,1-2H3,(H4,20,21,22,23)
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n/an/a 26n/an/an/an/an/an/a



Leibniz Center for Medicine and Biosciences

Curated by ChEMBL


Assay Description
Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candida albicans


Citation and Details
More data for this
Ligand-Target Pair
Dihydrofolate Reductase (DHFR)


(Candida albicans)
BDBM50407516
PNG
(CHEMBL121057)
Show SMILES Nc1nc(N)c2c(Sc3ccc(OC4CCOCC4)cc3)cccc2n1
Show InChI InChI=1S/C19H20N4O2S/c20-18-17-15(22-19(21)23-18)2-1-3-16(17)26-14-6-4-12(5-7-14)25-13-8-10-24-11-9-13/h1-7,13H,8-11H2,(H4,20,21,22,23)
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n/an/a 26n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase in Candida albicans (in vitro).


J Med Chem 38: 3608-16 (1995)

More data for this
Ligand-Target Pair
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