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15 molecules are shown

Wt: 467.9
BDBM50058401
Wt: 485.9
BDBM50102500
Wt: 502.3
BDBM50102501
Wt: 481.9
BDBM50102502
Wt: 530.0
BDBM50102503
Wt: 502.3
BDBM50102504
Wt: 496.0
BDBM50102507
Wt: 481.9
BDBM50102509
Wt: 468.9
BDBM50102510
Wt: 535.9
BDBM50102511
Wt: 481.9
BDBM50102517
Wt: 518.0
BDBM50102518
Wt: 481.9
BDBM50102519
Wt: 518.0
BDBM50102520
Wt: 502.3
BDBM50102521

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 39 hits for monomerid = 50058401,50102500,50102501,50102502,50102503,50102504,50102507,50102509,50102510,50102511,50102517,50102518,50102519,50102520,50102521   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dihydrofolate Reductase (DHFR)


(Pneumocystis carinii)
BDBM50058401
PNG
(2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1
Show InChI InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
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n/an/a 170n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Pneumocystis carinii dihydrofolate reductase


J Med Chem 40: 1886-93 (1997)


Article DOI: 10.1021/jm970050n
BindingDB Entry DOI: 10.7270/Q2RJ4HK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Escherichia coli)
BDBM50058401
PNG
(2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1
Show InChI InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
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n/an/a 170n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
In vitro inhibition of Pneumocystis carinii (Pc) dihydrofolate reductase.


J Med Chem 45: 233-41 (2001)


Article DOI: 10.1021/jm010407u
BindingDB Entry DOI: 10.7270/Q2SX6CJ2
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50058401
PNG
(2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1
Show InChI InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
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n/an/a 690n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory concentration against Toxoplasma gondii dihydrofolate reductase


J Med Chem 40: 1886-93 (1997)


Article DOI: 10.1021/jm970050n
BindingDB Entry DOI: 10.7270/Q2RJ4HK9
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102502
PNG
(2,4-Diamino-5-{3-[3-benzyl-3-[2-(propionyloxy)ethy...)
Show SMILES CCC(=O)OCCN(Cc1ccccc1)\N=N\c1cc(ccc1Cl)-c1c(N)nc(N)nc1CC
Show InChI InChI=1S/C24H28ClN7O2/c1-3-19-22(23(26)29-24(27)28-19)17-10-11-18(25)20(14-17)30-31-32(12-13-34-21(33)4-2)15-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 700n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102501
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(3-chlor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H25Cl2N7O2/c1-3-19-21(22(26)29-23(27)28-19)16-7-8-18(25)20(12-16)30-31-32(9-10-34-14(2)33)13-15-5-4-6-17(24)11-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 1.16E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102504
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-chlor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25Cl2N7O2/c1-3-19-21(22(26)29-23(27)28-19)16-6-9-18(25)20(12-16)30-31-32(10-11-34-14(2)33)13-15-4-7-17(24)8-5-15/h4-9,12H,3,10-11,13H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 800n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102503
PNG
(2,4-Diamino-5-{3-[3-[2-benzoyloxy)ethyl]-3-benzyl-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C28H28ClN7O2/c1-2-23-25(26(30)33-28(31)32-23)21-13-14-22(29)24(17-21)34-35-36(18-19-9-5-3-6-10-19)15-16-38-27(37)20-11-7-4-8-12-20/h3-14,17H,2,15-16,18H2,1H3,(H4,30,31,32,33)/b35-34+
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n/an/a 220n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102507
PNG
(2,4-Diamino-5-{3-[3-benzyl-3-[2-(isobutyryloxy)eth...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(=O)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C25H30ClN7O2/c1-4-20-22(23(27)30-25(28)29-20)18-10-11-19(26)21(14-18)31-32-33(12-13-35-24(34)16(2)3)15-17-8-6-5-7-9-17/h5-11,14,16H,4,12-13,15H2,1-3H3,(H4,27,28,29,30)/b32-31+
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n/an/a 660n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102509
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(2-methy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1C
Show InChI InChI=1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)17-9-10-19(25)21(13-17)30-31-32(11-12-34-16(3)33)14-18-8-6-5-7-15(18)2/h5-10,13H,4,11-12,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50102510
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-pyrid...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccncc1
Show InChI InChI=1S/C22H25ClN8O2/c1-3-18-20(21(24)28-22(25)27-18)16-4-5-17(23)19(12-16)29-30-31(10-11-33-14(2)32)13-15-6-8-26-9-7-15/h4-9,12H,3,10-11,13H2,1-2H3,(H4,24,25,27,28)/b30-29+
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n/an/a 2.03E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Mycobacterium avium


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102511
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-trifl...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25ClF3N7O2/c1-3-19-21(22(29)32-23(30)31-19)16-6-9-18(25)20(12-16)33-34-35(10-11-37-14(2)36)13-15-4-7-17(8-5-15)24(26,27)28/h4-9,12H,3,10-11,13H2,1-2H3,(H4,29,30,31,32)/b34-33+
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n/an/a 6.62E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50058401
PNG
(2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1
Show InChI InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
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n/an/a 690n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50102509
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(2-methy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1C
Show InChI InChI=1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)17-9-10-19(25)21(13-17)30-31-32(11-12-34-16(3)33)14-18-8-6-5-7-15(18)2/h5-10,13H,4,11-12,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
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n/an/a 2.45E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Mycobacterium avium


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102517
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(3-methy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1cccc(C)c1
Show InChI InChI=1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)18-8-9-19(25)21(13-18)30-31-32(10-11-34-16(3)33)14-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
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n/an/a 5.39E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102518
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(naphth-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H28ClN7O2/c1-3-23-25(26(29)32-27(30)31-23)21-10-11-22(28)24(15-21)33-34-35(12-13-37-17(2)36)16-18-8-9-19-6-4-5-7-20(19)14-18/h4-11,14-15H,3,12-13,16H2,1-2H3,(H4,29,30,31,32)/b34-33+
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n/an/a 1.05E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102520
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(naphth-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C27H28ClN7O2/c1-3-23-25(26(29)32-27(30)31-23)19-11-12-22(28)24(15-19)33-34-35(13-14-37-17(2)36)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-12,15H,3,13-14,16H2,1-2H3,(H4,29,30,31,32)/b34-33+
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n/an/a 280n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102520
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(naphth-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C27H28ClN7O2/c1-3-23-25(26(29)32-27(30)31-23)19-11-12-22(28)24(15-19)33-34-35(13-14-37-17(2)36)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-12,15H,3,13-14,16H2,1-2H3,(H4,29,30,31,32)/b34-33+
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n/an/a 200n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102517
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(3-methy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1cccc(C)c1
Show InChI InChI=1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)18-8-9-19(25)21(13-18)30-31-32(10-11-34-16(3)33)14-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102504
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-chlor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C23H25Cl2N7O2/c1-3-19-21(22(26)29-23(27)28-19)16-6-9-18(25)20(12-16)30-31-32(10-11-34-14(2)33)13-15-4-7-17(24)8-5-15/h4-9,12H,3,10-11,13H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50102517
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(3-methy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1cccc(C)c1
Show InChI InChI=1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)18-8-9-19(25)21(13-18)30-31-32(10-11-34-16(3)33)14-17-7-5-6-15(2)12-17/h5-9,12-13H,4,10-11,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
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n/an/a 2.52E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Mycobacterium avium


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102503
PNG
(2,4-Diamino-5-{3-[3-[2-benzoyloxy)ethyl]-3-benzyl-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(=O)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C28H28ClN7O2/c1-2-23-25(26(30)33-28(31)32-23)21-13-14-22(29)24(17-21)34-35-36(18-19-9-5-3-6-10-19)15-16-38-27(37)20-11-7-4-8-12-20/h3-14,17H,2,15-16,18H2,1H3,(H4,30,31,32,33)/b35-34+
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n/an/a 690n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102510
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-pyrid...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccncc1
Show InChI InChI=1S/C22H25ClN8O2/c1-3-18-20(21(24)28-22(25)27-18)16-4-5-17(23)19(12-16)29-30-31(10-11-33-14(2)32)13-15-6-8-26-9-7-15/h4-9,12H,3,10-11,13H2,1-2H3,(H4,24,25,27,28)/b30-29+
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n/an/a 6.19E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50102500
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-fluor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H25ClFN7O2/c1-3-19-21(22(26)29-23(27)28-19)16-6-9-18(24)20(12-16)30-31-32(10-11-34-14(2)33)13-15-4-7-17(25)8-5-15/h4-9,12H,3,10-11,13H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 7.46E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Mycobacterium avium


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102502
PNG
(2,4-Diamino-5-{3-[3-benzyl-3-[2-(propionyloxy)ethy...)
Show SMILES CCC(=O)OCCN(Cc1ccccc1)\N=N\c1cc(ccc1Cl)-c1c(N)nc(N)nc1CC
Show InChI InChI=1S/C24H28ClN7O2/c1-3-19-22(23(26)29-24(27)28-19)17-10-11-18(25)20(14-17)30-31-32(12-13-34-21(33)4-2)15-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102500
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-fluor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H25ClFN7O2/c1-3-19-21(22(26)29-23(27)28-19)16-6-9-18(24)20(12-16)30-31-32(10-11-34-14(2)33)13-15-4-7-17(25)8-5-15/h4-9,12H,3,10-11,13H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 3.83E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102519
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-methy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(C)cc1
Show InChI InChI=1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)18-9-10-19(25)21(13-18)30-31-32(11-12-34-16(3)33)14-17-7-5-15(2)6-8-17/h5-10,13H,4,11-12,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
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n/an/a 630n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102507
PNG
(2,4-Diamino-5-{3-[3-benzyl-3-[2-(isobutyryloxy)eth...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(=O)C(C)C)Cc1ccccc1
Show InChI InChI=1S/C25H30ClN7O2/c1-4-20-22(23(27)30-25(28)29-20)18-10-11-19(26)21(14-18)31-32-33(12-13-35-24(34)16(2)3)15-17-8-6-5-7-9-17/h5-11,14,16H,4,12-13,15H2,1-3H3,(H4,27,28,29,30)/b32-31+
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102519
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-methy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(C)cc1
Show InChI InChI=1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)18-9-10-19(25)21(13-18)30-31-32(11-12-34-16(3)33)14-17-7-5-15(2)6-8-17/h5-10,13H,4,11-12,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
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n/an/a 3.85E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102521
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(2-chlor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1Cl
Show InChI InChI=1S/C23H25Cl2N7O2/c1-3-19-21(22(26)29-23(27)28-19)15-8-9-18(25)20(12-15)30-31-32(10-11-34-14(2)33)13-16-6-4-5-7-17(16)24/h4-9,12H,3,10-11,13H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102509
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(2-methy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1C
Show InChI InChI=1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)17-9-10-19(25)21(13-17)30-31-32(11-12-34-16(3)33)14-18-8-6-5-7-15(18)2/h5-10,13H,4,11-12,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
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n/an/a 830n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Mycobacterium avium)
BDBM50102519
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-methy...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(C)cc1
Show InChI InChI=1S/C24H28ClN7O2/c1-4-20-22(23(26)29-24(27)28-20)18-9-10-19(25)21(13-18)30-31-32(11-12-34-16(3)33)14-17-7-5-15(2)6-8-17/h5-10,13H,4,11-12,14H2,1-3H3,(H4,26,27,28,29)/b31-30+
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n/an/a 4.43E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Mycobacterium avium


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50058401
PNG
(2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1
Show InChI InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
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n/an/a 1.94E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102510
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-pyrid...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccncc1
Show InChI InChI=1S/C22H25ClN8O2/c1-3-18-20(21(24)28-22(25)27-18)16-4-5-17(23)19(12-16)29-30-31(10-11-33-14(2)32)13-15-6-8-26-9-7-15/h4-9,12H,3,10-11,13H2,1-2H3,(H4,24,25,27,28)/b30-29+
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n/an/a 640n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102501
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(3-chlor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C23H25Cl2N7O2/c1-3-19-21(22(26)29-23(27)28-19)16-7-8-18(25)20(12-16)30-31-32(9-10-34-14(2)33)13-15-5-4-6-17(24)11-15/h4-8,11-12H,3,9-10,13H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102500
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-fluor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C23H25ClFN7O2/c1-3-19-21(22(26)29-23(27)28-19)16-6-9-18(24)20(12-16)30-31-32(10-11-34-14(2)33)13-15-4-7-17(25)8-5-15/h4-9,12H,3,10-11,13H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase (DHFR)


(Toxoplasma gondii)
BDBM50102511
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(4-trifl...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H25ClF3N7O2/c1-3-19-21(22(29)32-23(30)31-19)16-6-9-18(25)20(12-16)33-34-35(10-11-37-14(2)36)13-15-4-7-17(8-5-15)24(26,27)28/h4-9,12H,3,10-11,13H2,1-2H3,(H4,29,30,31,32)/b34-33+
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n/an/a 2.54E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in Toxoplasma gondii.


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102518
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(naphth-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C27H28ClN7O2/c1-3-23-25(26(29)32-27(30)31-23)21-10-11-22(28)24(15-21)33-34-35(12-13-37-17(2)36)16-18-8-9-19-6-4-5-7-20(19)14-18/h4-11,14-15H,3,12-13,16H2,1-2H3,(H4,29,30,31,32)/b34-33+
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n/an/a 620n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50102521
PNG
(2,4-Diamino-5-{3-[3-[2-acetyloxy)ethyl]-3-(2-chlor...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1Cl
Show InChI InChI=1S/C23H25Cl2N7O2/c1-3-19-21(22(26)29-23(27)28-19)15-8-9-18(25)20(12-15)30-31-32(10-11-34-14(2)33)13-16-6-4-5-7-17(16)24/h4-9,12H,3,10-11,13H2,1-2H3,(H4,26,27,28,29)/b31-30+
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase DHFR in rat liver


J Med Chem 44: 2555-64 (2001)


Article DOI: 10.1021/jm0108698
BindingDB Entry DOI: 10.7270/Q2SX6CHM
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Rattus norvegicus (rat))
BDBM50058401
PNG
(2,4-Diamino-5-[4-chloro-3-[3-[2-(acetyloxy)ethyl]-...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)c(c1)\N=N\N(CCOC(C)=O)Cc1ccccc1
Show InChI InChI=1S/C23H26ClN7O2/c1-3-19-21(22(25)28-23(26)27-19)17-9-10-18(24)20(13-17)29-30-31(11-12-33-15(2)32)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3,(H4,25,26,27,28)/b30-29+
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n/an/a 1.94E+4n/an/an/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against rat liver dihydrofolate reductase


J Med Chem 40: 1886-93 (1997)


Article DOI: 10.1021/jm970050n
BindingDB Entry DOI: 10.7270/Q2RJ4HK9
More data for this
Ligand-Target Pair