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Found 16 hits Enz. Inhib. hit(s) with Target = 'Bifunctional dihydrofolate reductase-thymidylate synthase' AND taxid = 5693   
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
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320792
PNG
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)
Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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1.30n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320793
PNG
(CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...)
Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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1.60n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320791
PNG
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
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1.60n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320794
PNG
(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)
Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1
Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30)
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3.30n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320790
PNG
(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O
Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25)
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3.60n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320791
PNG
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
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4.75n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burk plot


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320792
PNG
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)
Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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5.68n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by Lineweaver-Burk plot


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
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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6.60n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320789
PNG
(CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...)
Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1
Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29)
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24.9n/an/an/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
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 20.2n/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320792
PNG
(CHEMBL1165388 | Ethyl4-(5-[(2,4-diamino-6-quinazol...)
Show SMILES CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-3-30-20(28)5-4-10-31-19-12-15(7-9-18(19)29-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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n/an/a 23.8n/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320793
PNG
(CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazo...)
Show SMILES COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Show InChI InChI=1S/C22H27N5O4/c1-29-18-9-7-15(12-19(18)31-10-4-3-5-20(28)30-2)25-13-14-6-8-17-16(11-14)21(23)27-22(24)26-17/h6-9,11-12,25H,3-5,10,13H2,1-2H3,(H4,23,24,26,27)
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n/an/a 27n/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320791
PNG
(6-[(3,4-Dimethoxyanilino)methyl]-2,4-quinazolinedi...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OC
Show InChI InChI=1S/C17H19N5O2/c1-23-14-6-4-11(8-15(14)24-2)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h3-8,20H,9H2,1-2H3,(H4,18,19,21,22)
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n/an/a 27.1n/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320794
PNG
(CHEMBL1165306 | Methyl4-[(5-[(2,4-diamino-6-quinaz...)
Show SMILES COC(=O)c1ccc(COc2cc(NCc3ccc4nc(N)nc(N)c4c3)ccc2OC)cc1
Show InChI InChI=1S/C25H25N5O4/c1-32-21-10-8-18(12-22(21)34-14-15-3-6-17(7-4-15)24(31)33-2)28-13-16-5-9-20-19(11-16)23(26)30-25(27)29-20/h3-12,28H,13-14H2,1-2H3,(H4,26,27,29,30)
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n/an/a 57.5n/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320790
PNG
(4-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-m...)
Show SMILES COc1ccc(NCc2ccc3nc(N)nc(N)c3c2)cc1OCCCC(O)=O
Show InChI InChI=1S/C20H23N5O4/c1-28-16-7-5-13(10-17(16)29-8-2-3-18(26)27)23-11-12-4-6-15-14(9-12)19(21)25-20(22)24-15/h4-7,9-10,23H,2-3,8,11H2,1H3,(H,26,27)(H4,21,22,24,25)
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n/an/a 61n/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Trypanosoma cruzi)
BDBM50320789
PNG
(CHEMBL1164234 | methyl5-{5-[[(2,4-diamino-6-quinaz...)
Show SMILES CCCN(Cc1ccc2nc(N)nc(N)c2c1)c1ccc(OC)c(OCCCCC(=O)OC)c1
Show InChI InChI=1S/C25H33N5O4/c1-4-12-30(16-17-8-10-20-19(14-17)24(26)29-25(27)28-20)18-9-11-21(32-2)22(15-18)34-13-6-5-7-23(31)33-3/h8-11,14-15H,4-7,12-13,16H2,1-3H3,(H4,26,27,28,29)
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n/an/a 422n/an/an/an/an/an/a



University of Alabama

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi DHFR by spectrophotometric assay


Citation and Details
More data for this
Ligand-Target Pair