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PubMed code 10090784

Compile data set for download or QSAR
Found 76 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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


(Toxoplasma gondii)		BDBM50074735
PNG
(6-(3-(trifluoromethoxy)benzyl)-5,6,7,8-tetrahydroq...)
Show SMILES Nc1nc(N)c2CC(Cc3cccc(OC(F)(F)F)c3)CCc2n1
Show InChI InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(20)23-15(21)22-13/h1-3,7,10H,4-6,8H2,(H4,20,21,22,23)
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n/an/a 14n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074724
PNG
(6-(2-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...)
Show SMILES COc1ccccc1CC1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C16H20N4O/c1-21-14-5-3-2-4-11(14)8-10-6-7-13-12(9-10)15(17)20-16(18)19-13/h2-5,10H,6-9H2,1H3,(H4,17,18,19,20)
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n/an/a 14n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		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 15n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		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 17n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074725
PNG
(6-tert-Butyl-5,6,7,8-tetrahydro-quinazoline-2,4-di...)
Show SMILES CC(C)(C)C1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C12H20N4/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9/h7H,4-6H2,1-3H3,(H4,13,14,15,16)
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n/an/a 18n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074718
PNG
(6-(3-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...)
Show SMILES COc1cccc(CC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C16H20N4O/c1-21-12-4-2-3-10(8-12)7-11-5-6-14-13(9-11)15(17)20-16(18)19-14/h2-4,8,11H,5-7,9H2,1H3,(H4,17,18,19,20)
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n/an/a 21n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074720
PNG
(6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...)
Show SMILES COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)
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n/an/a 21n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074727
PNG
(6-(2-Methyl-benzyl)-5,6,7,8-tetrahydro-quinazoline...)
Show SMILES Cc1ccccc1CC1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C16H20N4/c1-10-4-2-3-5-12(10)8-11-6-7-14-13(9-11)15(17)20-16(18)19-14/h2-5,11H,6-9H2,1H3,(H4,17,18,19,20)
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n/an/a 23n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074719
PNG
(6-(3,4-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...)
Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1OC
Show InChI InChI=1S/C17H22N4O2/c1-22-14-6-4-11(9-15(14)23-2)7-10-3-5-13-12(8-10)16(18)21-17(19)20-13/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)
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n/an/a 23n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074721
PNG
(6-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-qui...)
Show SMILES COc1cc(CC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC
Show InChI InChI=1S/C18H24N4O3/c1-23-14-8-11(9-15(24-2)16(14)25-3)6-10-4-5-13-12(7-10)17(19)22-18(20)21-13/h8-10H,4-7H2,1-3H3,(H4,19,20,21,22)
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n/an/a 24n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		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 31n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074723
PNG
(6-Benzyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamin...)
Show SMILES Nc1nc(N)c2CC(Cc3ccccc3)CCc2n1
Show InChI InChI=1S/C15H18N4/c16-14-12-9-11(8-10-4-2-1-3-5-10)6-7-13(12)18-15(17)19-14/h1-5,11H,6-9H2,(H4,16,17,18,19)
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n/an/a 32n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074720
PNG
(6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...)
Show SMILES COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)
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n/an/a 34n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074722
PNG
(6-(3-Methyl-benzyl)-5,6,7,8-tetrahydro-quinazoline...)
Show SMILES Cc1cccc(CC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C16H20N4/c1-10-3-2-4-11(7-10)8-12-5-6-14-13(9-12)15(17)20-16(18)19-14/h2-4,7,12H,5-6,8-9H2,1H3,(H4,17,18,19,20)
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n/an/a 36n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074721
PNG
(6-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-qui...)
Show SMILES COc1cc(CC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC
Show InChI InChI=1S/C18H24N4O3/c1-23-14-8-11(9-15(24-2)16(14)25-3)6-10-4-5-13-12(7-10)17(19)22-18(20)21-13/h8-10H,4-7H2,1-3H3,(H4,19,20,21,22)
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n/an/a 38n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074732
PNG
(6-(Tetrahydro-furan-2-ylmethyl)-5,6,7,8-tetrahydro...)
Show SMILES Nc1nc(N)c2CC(CC3CCCO3)CCc2n1
Show InChI InChI=1S/C13H20N4O/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h8-9H,1-7H2,(H4,14,15,16,17)
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n/an/a 40n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074728
PNG
(6-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroquinazol...)
Show SMILES Nc1nc(N)c2CC(Cc3ccsc3)CCc2n1
Show InChI InChI=1S/C13H16N4S/c14-12-10-6-8(5-9-3-4-18-7-9)1-2-11(10)16-13(15)17-12/h3-4,7-8H,1-2,5-6H2,(H4,14,15,16,17)
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n/an/a 49n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074734
PNG
(6-(4-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...)
Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1
Show InChI InChI=1S/C16H20N4O/c1-21-12-5-2-10(3-6-12)8-11-4-7-14-13(9-11)15(17)20-16(18)19-14/h2-3,5-6,11H,4,7-9H2,1H3,(H4,17,18,19,20)
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n/an/a 50n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50033539
PNG
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-5,6,7,8-...)
Show SMILES COc1cc(NCC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC
Show InChI InChI=1S/C18H25N5O3/c1-24-14-7-11(8-15(25-2)16(14)26-3)21-9-10-4-5-13-12(6-10)17(19)23-18(20)22-13/h7-8,10,21H,4-6,9H2,1-3H3,(H4,19,20,22,23)
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n/an/a 54n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074720
PNG
(6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...)
Show SMILES COc1ccc(OC)c(CC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C17H22N4O2/c1-22-12-4-6-15(23-2)11(9-12)7-10-3-5-14-13(8-10)16(18)21-17(19)20-14/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)
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Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074737
PNG
(6-Thiophen-2-ylmethyl-5,6,7,8-tetrahydro-quinazoli...)
Show SMILES Nc1nc(N)c2CC(Cc3cccs3)CCc2n1
Show InChI InChI=1S/C13H16N4S/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h1-2,5,8H,3-4,6-7H2,(H4,14,15,16,17)
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n/an/a 62n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074719
PNG
(6-(3,4-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...)
Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1OC
Show InChI InChI=1S/C17H22N4O2/c1-22-14-6-4-11(9-15(14)23-2)7-10-3-5-13-12(8-10)16(18)21-17(19)20-13/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)
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n/an/a 63n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074725
PNG
(6-tert-Butyl-5,6,7,8-tetrahydro-quinazoline-2,4-di...)
Show SMILES CC(C)(C)C1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C12H20N4/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9/h7H,4-6H2,1-3H3,(H4,13,14,15,16)
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n/an/a 65n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074726
PNG
(6-(4-(trifluoromethoxy)benzyl)-5,6,7,8-tetrahydroq...)
Show SMILES Nc1nc(N)c2CC(Cc3ccc(OC(F)(F)F)cc3)CCc2n1
Show InChI InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-4-1-9(2-5-11)7-10-3-6-13-12(8-10)14(20)23-15(21)22-13/h1-2,4-5,10H,3,6-8H2,(H4,20,21,22,23)
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n/an/a 73n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074734
PNG
(6-(4-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...)
Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1
Show InChI InChI=1S/C16H20N4O/c1-21-12-5-2-10(3-6-12)8-11-4-7-14-13(9-11)15(17)20-16(18)19-14/h2-3,5-6,11H,4,7-9H2,1H3,(H4,17,18,19,20)
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n/an/a 77n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074735
PNG
(6-(3-(trifluoromethoxy)benzyl)-5,6,7,8-tetrahydroq...)
Show SMILES Nc1nc(N)c2CC(Cc3cccc(OC(F)(F)F)c3)CCc2n1
Show InChI InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(20)23-15(21)22-13/h1-3,7,10H,4-6,8H2,(H4,20,21,22,23)
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n/an/a 79n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074737
PNG
(6-Thiophen-2-ylmethyl-5,6,7,8-tetrahydro-quinazoli...)
Show SMILES Nc1nc(N)c2CC(Cc3cccs3)CCc2n1
Show InChI InChI=1S/C13H16N4S/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h1-2,5,8H,3-4,6-7H2,(H4,14,15,16,17)
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n/an/a 80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074721
PNG
(6-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-qui...)
Show SMILES COc1cc(CC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC
Show InChI InChI=1S/C18H24N4O3/c1-23-14-8-11(9-15(24-2)16(14)25-3)6-10-4-5-13-12(7-10)17(19)22-18(20)21-13/h8-10H,4-7H2,1-3H3,(H4,19,20,21,22)
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n/an/a 91n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074735
PNG
(6-(3-(trifluoromethoxy)benzyl)-5,6,7,8-tetrahydroq...)
Show SMILES Nc1nc(N)c2CC(Cc3cccc(OC(F)(F)F)c3)CCc2n1
Show InChI InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(20)23-15(21)22-13/h1-3,7,10H,4-6,8H2,(H4,20,21,22,23)
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n/an/a 100n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074719
PNG
(6-(3,4-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-quinaz...)
Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1OC
Show InChI InChI=1S/C17H22N4O2/c1-22-14-6-4-11(9-15(14)23-2)7-10-3-5-13-12(8-10)16(18)21-17(19)20-13/h4,6,9-10H,3,5,7-8H2,1-2H3,(H4,18,19,20,21)
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n/an/a 100n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074722
PNG
(6-(3-Methyl-benzyl)-5,6,7,8-tetrahydro-quinazoline...)
Show SMILES Cc1cccc(CC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C16H20N4/c1-10-3-2-4-11(7-10)8-12-5-6-14-13(9-12)15(17)20-16(18)19-14/h2-4,7,12H,5-6,8-9H2,1H3,(H4,17,18,19,20)
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n/an/a 110n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074727
PNG
(6-(2-Methyl-benzyl)-5,6,7,8-tetrahydro-quinazoline...)
Show SMILES Cc1ccccc1CC1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C16H20N4/c1-10-4-2-3-5-12(10)8-11-6-7-14-13(9-11)15(17)20-16(18)19-14/h2-5,11H,6-9H2,1H3,(H4,17,18,19,20)
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n/an/a 110n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074718
PNG
(6-(3-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...)
Show SMILES COc1cccc(CC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C16H20N4O/c1-21-12-4-2-3-10(8-12)7-11-5-6-14-13(9-11)15(17)20-16(18)19-14/h2-4,8,11H,5-7,9H2,1H3,(H4,17,18,19,20)
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n/an/a 110n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074724
PNG
(6-(2-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...)
Show SMILES COc1ccccc1CC1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C16H20N4O/c1-21-14-5-3-2-4-11(14)8-10-6-7-13-12(9-10)15(17)20-16(18)19-13/h2-5,10H,6-9H2,1H3,(H4,17,18,19,20)
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n/an/a 120n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074728
PNG
(6-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroquinazol...)
Show SMILES Nc1nc(N)c2CC(Cc3ccsc3)CCc2n1
Show InChI InChI=1S/C13H16N4S/c14-12-10-6-8(5-9-3-4-18-7-9)1-2-11(10)16-13(15)17-12/h3-4,7-8H,1-2,5-6H2,(H4,14,15,16,17)
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n/an/a 130n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074731
PNG
(6-(3-(trifluoromethyl)benzyl)-5,6,7,8-tetrahydroqu...)
Show SMILES Nc1nc(N)c2CC(Cc3cccc(c3)C(F)(F)F)CCc2n1
Show InChI InChI=1S/C16H17F3N4/c17-16(18,19)11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(20)23-15(21)22-13/h1-3,7,10H,4-6,8H2,(H4,20,21,22,23)
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n/an/a 140n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074726
PNG
(6-(4-(trifluoromethoxy)benzyl)-5,6,7,8-tetrahydroq...)
Show SMILES Nc1nc(N)c2CC(Cc3ccc(OC(F)(F)F)cc3)CCc2n1
Show InChI InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-4-1-9(2-5-11)7-10-3-6-13-12(8-10)14(20)23-15(21)22-13/h1-2,4-5,10H,3,6-8H2,(H4,20,21,22,23)
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n/an/a 170n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074725
PNG
(6-tert-Butyl-5,6,7,8-tetrahydro-quinazoline-2,4-di...)
Show SMILES CC(C)(C)C1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C12H20N4/c1-12(2,3)7-4-5-9-8(6-7)10(13)16-11(14)15-9/h7H,4-6H2,1-3H3,(H4,13,14,15,16)
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n/an/a 180n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50033549
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-5,6,7,8-tet...)
Show SMILES COc1ccc(OC)c(NCC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C17H23N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h4,6,8,10,20H,3,5,7,9H2,1-2H3,(H4,18,19,21,22)
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n/an/a 180n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074723
PNG
(6-Benzyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamin...)
Show SMILES Nc1nc(N)c2CC(Cc3ccccc3)CCc2n1
Show InChI InChI=1S/C15H18N4/c16-14-12-9-11(8-10-4-2-1-3-5-10)6-7-13(12)18-15(17)19-14/h1-5,11H,6-9H2,(H4,16,17,18,19)
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n/an/a 180n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074731
PNG
(6-(3-(trifluoromethyl)benzyl)-5,6,7,8-tetrahydroqu...)
Show SMILES Nc1nc(N)c2CC(Cc3cccc(c3)C(F)(F)F)CCc2n1
Show InChI InChI=1S/C16H17F3N4/c17-16(18,19)11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(20)23-15(21)22-13/h1-3,7,10H,4-6,8H2,(H4,20,21,22,23)
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n/an/a 190n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074738
PNG
(6-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-pyr...)
Show SMILES COc1cc(CN2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC
Show InChI InChI=1S/C17H23N5O3/c1-23-13-6-10(7-14(24-2)15(13)25-3)8-22-5-4-12-11(9-22)16(18)21-17(19)20-12/h6-7H,4-5,8-9H2,1-3H3,(H4,18,19,20,21)
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n/an/a 200n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074737
PNG
(6-Thiophen-2-ylmethyl-5,6,7,8-tetrahydro-quinazoli...)
Show SMILES Nc1nc(N)c2CC(Cc3cccs3)CCc2n1
Show InChI InChI=1S/C13H16N4S/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h1-2,5,8H,3-4,6-7H2,(H4,14,15,16,17)
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n/an/a 210n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074727
PNG
(6-(2-Methyl-benzyl)-5,6,7,8-tetrahydro-quinazoline...)
Show SMILES Cc1ccccc1CC1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C16H20N4/c1-10-4-2-3-5-12(10)8-11-6-7-14-13(9-11)15(17)20-16(18)19-14/h2-5,11H,6-9H2,1H3,(H4,17,18,19,20)
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n/an/a 250n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074732
PNG
(6-(Tetrahydro-furan-2-ylmethyl)-5,6,7,8-tetrahydro...)
Show SMILES Nc1nc(N)c2CC(CC3CCCO3)CCc2n1
Show InChI InChI=1S/C13H20N4O/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h8-9H,1-7H2,(H4,14,15,16,17)
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n/an/a 270n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074718
PNG
(6-(3-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...)
Show SMILES COc1cccc(CC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C16H20N4O/c1-21-12-4-2-3-10(8-12)7-11-5-6-14-13(9-11)15(17)20-16(18)19-14/h2-4,8,11H,5-7,9H2,1H3,(H4,17,18,19,20)
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n/an/a 270n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074723
PNG
(6-Benzyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamin...)
Show SMILES Nc1nc(N)c2CC(Cc3ccccc3)CCc2n1
Show InChI InChI=1S/C15H18N4/c16-14-12-9-11(8-10-4-2-1-3-5-10)6-7-13(12)18-15(17)19-14/h1-5,11H,6-9H2,(H4,16,17,18,19)
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n/an/a 290n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50033539
PNG
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-5,6,7,8-...)
Show SMILES COc1cc(NCC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC
Show InChI InChI=1S/C18H25N5O3/c1-24-14-7-11(8-15(25-2)16(14)26-3)21-9-10-4-5-13-12(6-10)17(19)23-18(20)22-13/h7-8,10,21H,4-6,9H2,1-3H3,(H4,19,20,22,23)
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n/an/a 290n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074729
PNG
(6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-pyrido...)
Show SMILES COc1ccc(OC)c(CN2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C16H21N5O2/c1-22-11-3-4-14(23-2)10(7-11)8-21-6-5-13-12(9-21)15(17)20-16(18)19-13/h3-4,7H,5-6,8-9H2,1-2H3,(H4,17,18,19,20)
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n/an/a 300n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074722
PNG
(6-(3-Methyl-benzyl)-5,6,7,8-tetrahydro-quinazoline...)
Show SMILES Cc1cccc(CC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C16H20N4/c1-10-3-2-4-11(7-10)8-12-5-6-14-13(9-12)15(17)20-16(18)19-14/h2-4,7,12H,5-6,8-9H2,1H3,(H4,17,18,19,20)
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n/an/a 340n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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n/an/a 390n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074731
PNG
(6-(3-(trifluoromethyl)benzyl)-5,6,7,8-tetrahydroqu...)
Show SMILES Nc1nc(N)c2CC(Cc3cccc(c3)C(F)(F)F)CCc2n1
Show InChI InChI=1S/C16H17F3N4/c17-16(18,19)11-3-1-2-9(7-11)6-10-4-5-13-12(8-10)14(20)23-15(21)22-13/h1-3,7,10H,4-6,8H2,(H4,20,21,22,23)
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n/an/a 400n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074734
PNG
(6-(4-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...)
Show SMILES COc1ccc(CC2CCc3nc(N)nc(N)c3C2)cc1
Show InChI InChI=1S/C16H20N4O/c1-21-12-5-2-10(3-6-12)8-11-4-7-14-13(9-11)15(17)20-16(18)19-14/h2-3,5-6,11H,4,7-9H2,1H3,(H4,17,18,19,20)
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n/an/a 440n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074724
PNG
(6-(2-Methoxy-benzyl)-5,6,7,8-tetrahydro-quinazolin...)
Show SMILES COc1ccccc1CC1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C16H20N4O/c1-21-14-5-3-2-4-11(14)8-10-6-7-13-12(9-10)15(17)20-16(18)19-13/h2-5,10H,6-9H2,1H3,(H4,17,18,19,20)
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n/an/a 450n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50033549
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-5,6,7,8-tet...)
Show SMILES COc1ccc(OC)c(NCC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C17H23N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h4,6,8,10,20H,3,5,7,9H2,1-2H3,(H4,18,19,21,22)
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n/an/a 560n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074726
PNG
(6-(4-(trifluoromethoxy)benzyl)-5,6,7,8-tetrahydroq...)
Show SMILES Nc1nc(N)c2CC(Cc3ccc(OC(F)(F)F)cc3)CCc2n1
Show InChI InChI=1S/C16H17F3N4O/c17-16(18,19)24-11-4-1-9(2-5-11)7-10-3-6-13-12(8-10)14(20)23-15(21)22-13/h1-2,4-5,10H,3,6-8H2,(H4,20,21,22,23)
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n/an/a 580n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074732
PNG
(6-(Tetrahydro-furan-2-ylmethyl)-5,6,7,8-tetrahydro...)
Show SMILES Nc1nc(N)c2CC(CC3CCCO3)CCc2n1
Show InChI InChI=1S/C13H20N4O/c14-12-10-7-8(6-9-2-1-5-18-9)3-4-11(10)16-13(15)17-12/h8-9H,1-7H2,(H4,14,15,16,17)
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n/an/a 880n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074730
PNG
(6-Ethyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamine...)
Show SMILES CCC1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C10H16N4/c1-2-6-3-4-8-7(5-6)9(11)14-10(12)13-8/h6H,2-5H2,1H3,(H4,11,12,13,14)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074733
PNG
(6-Phenyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamin...)
Show SMILES Nc1nc(N)c2CC(CCc2n1)c1ccccc1
Show InChI InChI=1S/C14H16N4/c15-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)17-14(16)18-13/h1-5,10H,6-8H2,(H4,15,16,17,18)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074729
PNG
(6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-pyrido...)
Show SMILES COc1ccc(OC)c(CN2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C16H21N5O2/c1-22-11-3-4-14(23-2)10(7-11)8-21-6-5-13-12(9-21)15(17)20-16(18)19-13/h3-4,7H,5-6,8-9H2,1-2H3,(H4,17,18,19,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50033549
PNG
(6-[(2,5-Dimethoxy-phenylamino)-methyl]-5,6,7,8-tet...)
Show SMILES COc1ccc(OC)c(NCC2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C17H23N5O2/c1-23-11-4-6-15(24-2)14(8-11)20-9-10-3-5-13-12(7-10)16(18)22-17(19)21-13/h4,6,8,10,20H,3,5,7,9H2,1-2H3,(H4,18,19,21,22)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074728
PNG
(6-(thiophen-3-ylmethyl)-5,6,7,8-tetrahydroquinazol...)
Show SMILES Nc1nc(N)c2CC(Cc3ccsc3)CCc2n1
Show InChI InChI=1S/C13H16N4S/c14-12-10-6-8(5-9-3-4-18-7-9)1-2-11(10)16-13(15)17-12/h3-4,7-8H,1-2,5-6H2,(H4,14,15,16,17)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074733
PNG
(6-Phenyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamin...)
Show SMILES Nc1nc(N)c2CC(CCc2n1)c1ccccc1
Show InChI InChI=1S/C14H16N4/c15-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)17-14(16)18-13/h1-5,10H,6-8H2,(H4,15,16,17,18)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074738
PNG
(6-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-pyr...)
Show SMILES COc1cc(CN2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC
Show InChI InChI=1S/C17H23N5O3/c1-23-13-6-10(7-14(24-2)15(13)25-3)8-22-5-4-12-11(9-22)16(18)21-17(19)20-12/h6-7H,4-5,8-9H2,1-3H3,(H4,18,19,20,21)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074733
PNG
(6-Phenyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamin...)
Show SMILES Nc1nc(N)c2CC(CCc2n1)c1ccccc1
Show InChI InChI=1S/C14H16N4/c15-13-11-8-10(9-4-2-1-3-5-9)6-7-12(11)17-14(16)18-13/h1-5,10H,6-8H2,(H4,15,16,17,18)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		BDBM50074736
PNG
(6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-quinazo...)
Show SMILES Nc1nc(N)c2CC(Cc3ccc(Cl)c(Cl)c3)CCc2n1
Show InChI InChI=1S/C15H16Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1,3,7-8H,2,4-6H2,(H4,18,19,20,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase


(Toxoplasma gondii)		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 2.70E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit T. gondii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074730
PNG
(6-Ethyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamine...)
Show SMILES CCC1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C10H16N4/c1-2-6-3-4-8-7(5-6)9(11)14-10(12)13-8/h6H,2-5H2,1H3,(H4,11,12,13,14)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074729
PNG
(6-(2,5-Dimethoxy-benzyl)-5,6,7,8-tetrahydro-pyrido...)
Show SMILES COc1ccc(OC)c(CN2CCc3nc(N)nc(N)c3C2)c1
Show InChI InChI=1S/C16H21N5O2/c1-22-11-3-4-14(23-2)10(7-11)8-21-6-5-13-12(9-21)15(17)20-16(18)19-13/h3-4,7H,5-6,8-9H2,1-2H3,(H4,17,18,19,20)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50033539
PNG
(6-[(3,4,5-Trimethoxy-phenylamino)-methyl]-5,6,7,8-...)
Show SMILES COc1cc(NCC2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC
Show InChI InChI=1S/C18H25N5O3/c1-24-14-7-11(8-15(25-2)16(14)26-3)21-9-10-4-5-13-12(6-10)17(19)23-18(20)22-13/h7-8,10,21H,4-6,9H2,1-3H3,(H4,19,20,22,23)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074738
PNG
(6-(3,4,5-Trimethoxy-benzyl)-5,6,7,8-tetrahydro-pyr...)
Show SMILES COc1cc(CN2CCc3nc(N)nc(N)c3C2)cc(OC)c1OC
Show InChI InChI=1S/C17H23N5O3/c1-23-13-6-10(7-14(24-2)15(13)25-3)8-22-5-4-12-11(9-22)16(18)21-17(19)20-12/h6-7H,4-5,8-9H2,1-3H3,(H4,18,19,20,21)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074730
PNG
(6-Ethyl-5,6,7,8-tetrahydro-quinazoline-2,4-diamine...)
Show SMILES CCC1CCc2nc(N)nc(N)c2C1
Show InChI InChI=1S/C10H16N4/c1-2-6-3-4-8-7(5-6)9(11)14-10(12)13-8/h6H,2-5H2,1H3,(H4,11,12,13,14)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		BDBM50074736
PNG
(6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-quinazo...)
Show SMILES Nc1nc(N)c2CC(Cc3ccc(Cl)c(Cl)c3)CCc2n1
Show InChI InChI=1S/C15H16Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1,3,7-8H,2,4-6H2,(H4,18,19,20,21)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Pneumocystis carinii)		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 1.20E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Dihydrofolate reductase


(Pneumocystis carinii)		BDBM50074736
PNG
(6-(3,4-Dichloro-benzyl)-5,6,7,8-tetrahydro-quinazo...)
Show SMILES Nc1nc(N)c2CC(Cc3ccc(Cl)c(Cl)c3)CCc2n1
Show InChI InChI=1S/C15H16Cl2N4/c16-11-3-1-9(7-12(11)17)5-8-2-4-13-10(6-8)14(18)21-15(19)20-13/h1,3,7-8H,2,4-6H2,(H4,18,19,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit P. carinii Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))		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 1.30E+5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
The ability of the compound to inhibit rat liver Dihydrofolate reductase was tested

J Med Chem 42: 1007-17 (1999)


Article DOI: 10.1021/jm980572i
BindingDB Entry DOI: 10.7270/Q2513XCR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
* indicates data uncertainty>20%