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Compile Data Set for Download or QSAR

Found 42 hits of ic50 data for polymerid = 50007402   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SHMT


(Plasmodium falciparum)
BDBM50239647
PNG
(CHEMBL4092595)
Show SMILES [2H]C([2H])([2H])c1[nH]nc2OC(N)=C(C#N)C(C(C)C)(c12)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C24H24F3N5O3S2/c1-12(2)23(17(11-28)21(29)35-22-20(23)13(3)30-31-22)15-8-14(9-16(10-15)24(25,26)27)18-6-7-19(36-18)37(33,34)32(4)5/h6-10,12H,29H2,1-5H3,(H,30,31)/i3D3
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n/an/a 11n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239671
PNG
(CHEMBL4063186)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C24H24F3N5O3S2/c1-12(2)23(17(11-28)21(29)35-22-20(23)13(3)30-31-22)15-8-14(9-16(10-15)24(25,26)27)18-6-7-19(36-18)37(33,34)32(4)5/h6-10,12H,29H2,1-5H3,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239672
PNG
(CHEMBL4093534)
Show SMILES CC(C)C1(c2c[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C23H22F3N5O3S2/c1-12(2)22(16(10-27)20(28)34-21-17(22)11-29-30-21)14-7-13(8-15(9-14)23(24,25)26)18-5-6-19(35-18)36(32,33)31(3)4/h5-9,11-12H,28H2,1-4H3,(H,29,30)
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n/an/a 29n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239667
PNG
(CHEMBL4066725)
Show SMILES COCc1ccc(s1)-c1cc(cc(c1)C1(C(C)C)c2c(C)[nH]nc2OC(N)=C1C#N)C#N
Show InChI InChI=1S/C24H23N5O2S/c1-13(2)24(19(11-26)22(27)31-23-21(24)14(3)28-29-23)17-8-15(10-25)7-16(9-17)20-6-5-18(32-20)12-30-4/h5-9,13H,12,27H2,1-4H3,(H,28,29)
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n/an/a 42n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239656
PNG
(CHEMBL4103145)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C24H21FN4O3/c1-12(2)24(19(11-26)21(27)32-22-20(24)13(3)28-29-22)17-8-16(9-18(25)10-17)14-5-4-6-15(7-14)23(30)31/h4-10,12H,27H2,1-3H3,(H,28,29)(H,30,31)
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n/an/a 56n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239641
PNG
(CHEMBL4085568)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1cccc2ccsc12)C#N
Show InChI InChI=1S/C26H21N5OS/c1-14(2)26(21(13-28)24(29)32-25-22(26)15(3)30-31-25)19-10-16(12-27)9-18(11-19)20-6-4-5-17-7-8-33-23(17)20/h4-11,14H,29H2,1-3H3,(H,30,31)
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n/an/a 60n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239663
PNG
(CHEMBL4061729)
Show SMILES COC(=O)c1ccc(s1)-c1cc(cc(c1)[C@]1(C=C(N)Oc2n[nH]c(C)c12)C(C)C)C#N
Show InChI InChI=1S/C23H22N4O3S/c1-12(2)23(10-19(25)30-21-20(23)13(3)26-27-21)16-8-14(11-24)7-15(9-16)17-5-6-18(31-17)22(28)29-4/h5-10,12H,25H2,1-4H3,(H,26,27)/t23-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239657
PNG
(CHEMBL4074964)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C23H26FN5O3/c1-12(2)23(18(11-25)20(26)32-21-19(23)13(3)27-28-21)15-8-16(24)10-17(9-15)29-6-4-14(5-7-29)22(30)31/h8-10,12,14H,4-7,26H2,1-3H3,(H,27,28)(H,30,31)
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n/an/a 75n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239654
PNG
(CHEMBL4104071)
Show SMILES COc1ccc(cc1C(O)=O)-c1cc(cc(c1)C1(C(C)C)c2c(C)[nH]nc2OC(N)=C1C#N)C(F)(F)F
Show InChI InChI=1S/C26H23F3N4O4/c1-12(2)25(19(11-30)22(31)37-23-21(25)13(3)32-33-23)16-7-15(8-17(10-16)26(27,28)29)14-5-6-20(36-4)18(9-14)24(34)35/h5-10,12H,31H2,1-4H3,(H,32,33)(H,34,35)
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n/an/a 77n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239676
PNG
(CHEMBL4078219)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C26H25FN4O3/c1-14(2)26(21(13-28)24(29)34-25-23(26)15(3)30-31-25)19-10-18(11-20(27)12-19)17-6-4-5-16(9-17)7-8-22(32)33/h4-6,9-12,14H,7-8,29H2,1-3H3,(H,30,31)(H,32,33)
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n/an/a 90n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239661
PNG
(CHEMBL4102497)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H28FN5O3/c1-13(2)24(19(12-26)22(27)33-23-21(24)14(3)28-29-23)16-9-17(25)11-18(10-16)30-6-4-15(5-7-30)8-20(31)32/h9-11,13,15H,4-8,27H2,1-3H3,(H,28,29)(H,31,32)
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n/an/a 97n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239640
PNG
(CHEMBL4064002)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(s1)S(=O)(=O)N(C)C)C#N
Show InChI InChI=1S/C24H24N6O3S2/c1-13(2)24(18(12-26)22(27)33-23-21(24)14(3)28-29-23)17-9-15(11-25)8-16(10-17)19-6-7-20(34-19)35(31,32)30(4)5/h6-10,13H,27H2,1-5H3,(H,28,29)
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n/an/a 99n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239664
PNG
(CHEMBL4088892)
Show SMILES CC(C)[C@]1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H28FN5O3/c1-13(2)24(19(12-26)22(27)33-23-21(24)14(3)28-29-23)16-9-17(25)11-18(10-16)30-6-4-15(5-7-30)8-20(31)32/h9-11,13,15H,4-8,27H2,1-3H3,(H,28,29)(H,31,32)/t24-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239653
PNG
(CHEMBL4087703)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cncc(c1)C(O)=O
Show InChI InChI=1S/C24H20F3N5O3/c1-11(2)23(18(8-28)20(29)35-21-19(23)12(3)31-32-21)16-5-13(6-17(7-16)24(25,26)27)14-4-15(22(33)34)10-30-9-14/h4-7,9-11H,29H2,1-3H3,(H,31,32)(H,33,34)
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n/an/a 119n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Evaluated for the inhibition of adenylate cyclase at M2 receptor in rat heart


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239662
PNG
(CHEMBL4101602)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)N1CCC(CCC(O)=O)CC1
Show InChI InChI=1S/C25H30FN5O3/c1-14(2)25(20(13-27)23(28)34-24-22(25)15(3)29-30-24)17-10-18(26)12-19(11-17)31-8-6-16(7-9-31)4-5-21(32)33/h10-12,14,16H,4-9,28H2,1-3H3,(H,29,30)(H,32,33)
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n/an/a 130n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239679
PNG
(CHEMBL4093312)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(s1)-c1nc(C)no1)C#N
Show InChI InChI=1S/C25H21N7O2S/c1-12(2)25(18(11-27)22(28)33-24-21(25)13(3)30-31-24)17-8-15(10-26)7-16(9-17)19-5-6-20(35-19)23-29-14(4)32-34-23/h5-9,12H,28H2,1-4H3,(H,30,31)
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n/an/a 133n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239658
PNG
(CHEMBL4100679)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cccc(CCC(O)=O)c1
Show InChI InChI=1S/C27H25F3N4O3/c1-14(2)26(21(13-31)24(32)37-25-23(26)15(3)33-34-25)19-10-18(11-20(12-19)27(28,29)30)17-6-4-5-16(9-17)7-8-22(35)36/h4-6,9-12,14H,7-8,32H2,1-3H3,(H,33,34)(H,35,36)
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n/an/a 165n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239659
PNG
(CHEMBL4086113)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)N1CCC(CCC(O)=O)CC1
Show InChI InChI=1S/C26H30F3N5O3/c1-14(2)25(20(13-30)23(31)37-24-22(25)15(3)32-33-24)17-10-18(26(27,28)29)12-19(11-17)34-8-6-16(7-9-34)4-5-21(35)36/h10-12,14,16H,4-9,31H2,1-3H3,(H,32,33)(H,35,36)
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n/an/a 168n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239648
PNG
(CHEMBL4071810)
Show SMILES CCc1[nH]nc2OC(N)=C(C#N)C(C(C)C)(c12)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C25H26F3N5O3S2/c1-6-18-21-23(32-31-18)36-22(30)17(12-29)24(21,13(2)3)15-9-14(10-16(11-15)25(26,27)28)19-7-8-20(37-19)38(34,35)33(4)5/h7-11,13H,6,30H2,1-5H3,(H,31,32)
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n/an/a 172n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239660
PNG
(CHEMBL4064601)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)-c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C25H23FN4O3/c1-13(2)25(20(12-27)23(28)33-24-22(25)14(3)29-30-24)18-9-17(10-19(26)11-18)16-6-4-5-15(7-16)8-21(31)32/h4-7,9-11,13H,8,28H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 172n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239638
PNG
(CHEMBL4073903)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C25H28F3N5O3/c1-13(2)24(19(12-29)22(30)36-23-21(24)14(3)31-32-23)16-9-17(25(26,27)28)11-18(10-16)33-6-4-15(5-7-33)8-20(34)35/h9-11,13,15H,4-8,30H2,1-3H3,(H,31,32)(H,34,35)
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n/an/a 186n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Binding affinity against Muscarinic acetylcholine receptor M2 by displacement of [3H]QNB in rat myocardium


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239675
PNG
(CHEMBL4095396)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cccc(CC(O)=O)c1
Show InChI InChI=1S/C26H23F3N4O3/c1-13(2)25(20(12-30)23(31)36-24-22(25)14(3)32-33-24)18-9-17(10-19(11-18)26(27,28)29)16-6-4-5-15(7-16)8-21(34)35/h4-7,9-11,13H,8,31H2,1-3H3,(H,32,33)(H,34,35)
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n/an/a 186n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239673
PNG
(CHEMBL4066357)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1cccc(c1)C(O)=O
Show InChI InChI=1S/C25H21F3N4O3/c1-12(2)24(19(11-29)21(30)35-22-20(24)13(3)31-32-22)17-8-16(9-18(10-17)25(26,27)28)14-5-4-6-15(7-14)23(33)34/h4-10,12H,30H2,1-3H3,(H,31,32)(H,33,34)
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n/an/a 189n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239668
PNG
(CHEMBL4072596)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(Cl)s1)C#N
Show InChI InChI=1S/C22H18ClN5OS/c1-11(2)22(16(10-25)20(26)29-21-19(22)12(3)27-28-21)15-7-13(9-24)6-14(8-15)17-4-5-18(23)30-17/h4-8,11H,26H2,1-3H3,(H,27,28)
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n/an/a 202n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239652
PNG
(CHEMBL4102165)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1cccc(c1)C(O)=O)C#N
Show InChI InChI=1S/C25H21N5O3/c1-13(2)25(20(12-27)22(28)33-23-21(25)14(3)29-30-23)19-8-15(11-26)7-18(10-19)16-5-4-6-17(9-16)24(31)32/h4-10,13H,28H2,1-3H3,(H,29,30)(H,31,32)
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n/an/a 220n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239643
PNG
(CHEMBL4100331)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(Cl)s1
Show InChI InChI=1S/C22H18ClF3N4OS/c1-10(2)21(15(9-27)19(28)31-20-18(21)11(3)29-30-20)13-6-12(16-4-5-17(23)32-16)7-14(8-13)22(24,25)26/h4-8,10H,28H2,1-3H3,(H,29,30)
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n/an/a 226n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239674
PNG
(CHEMBL4079818)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(OC(F)(F)F)c(c1)C(O)=O
Show InChI InChI=1S/C26H20F6N4O4/c1-11(2)24(18(10-33)21(34)39-22-20(24)12(3)35-36-22)15-6-14(7-16(9-15)25(27,28)29)13-4-5-19(40-26(30,31)32)17(8-13)23(37)38/h4-9,11H,34H2,1-3H3,(H,35,36)(H,37,38)
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n/an/a 268n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239655
PNG
(CHEMBL4085213)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C24H26F3N5O3/c1-12(2)23(18(11-28)20(29)35-21-19(23)13(3)30-31-21)15-8-16(24(25,26)27)10-17(9-15)32-6-4-14(5-7-32)22(33)34/h8-10,12,14H,4-7,29H2,1-3H3,(H,30,31)(H,33,34)
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n/an/a 312n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239666
PNG
(CHEMBL4094249)
Show SMILES COc1ccc(s1)-c1cc(cc(c1)C1(C(C)C)c2c(C)[nH]nc2OC(N)=C1C#N)C#N
Show InChI InChI=1S/C23H21N5O2S/c1-12(2)23(17(11-25)21(26)30-22-20(23)13(3)27-28-22)16-8-14(10-24)7-15(9-16)18-5-6-19(29-4)31-18/h5-9,12H,26H2,1-4H3,(H,27,28)
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n/an/a 323n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239650
PNG
(CHEMBL4081230)
Show SMILES CCC1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C23H22F3N5O3S2/c1-5-22(16(11-27)20(28)34-21-19(22)12(2)29-30-21)14-8-13(9-15(10-14)23(24,25)26)17-6-7-18(35-17)36(32,33)31(3)4/h6-10H,5,28H2,1-4H3,(H,29,30)
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n/an/a 340n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239677
PNG
(CHEMBL4073208)
Show SMILES COC(=O)c1ccc(s1)-c1cc(cc(c1)C1(C=C(N)Oc2n[nH]c(C)c12)C(C)C)C#N
Show InChI InChI=1S/C23H22N4O3S/c1-12(2)23(10-19(25)30-21-20(23)13(3)26-27-21)16-8-14(11-24)7-15(9-16)17-5-6-18(31-17)22(28)29-4/h5-10,12H,25H2,1-4H3,(H,26,27)
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n/an/a 370n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239678
PNG
(CHEMBL4077713)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)-c1ccc(s1)C(F)(F)F)C#N
Show InChI InChI=1S/C23H18F3N5OS/c1-11(2)22(16(10-28)20(29)32-21-19(22)12(3)30-31-21)15-7-13(9-27)6-14(8-15)17-4-5-18(33-17)23(24,25)26/h4-8,11H,29H2,1-3H3,(H,30,31)
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n/an/a 388n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibitory activity against Herpes simplex virus type-I specific thymidine kinase


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239669
PNG
(CHEMBL4067746)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(Cl)cc(c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C21H18Cl2N4OS/c1-10(2)21(15(9-24)19(25)28-20-18(21)11(3)26-27-20)13-6-12(7-14(22)8-13)16-4-5-17(23)29-16/h4-8,10H,25H2,1-3H3,(H,26,27)
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n/an/a 485n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239637
PNG
(CHEMBL4089096)
Show SMILES CN(C)S(=O)(=O)c1ccc(s1)-c1cc(cc(c1)C1(C2CCC2)c2c(C)[nH]nc2OC(N)=C1C#N)C(F)(F)F
Show InChI InChI=1S/C25H24F3N5O3S2/c1-13-21-23(32-31-13)36-22(30)18(12-29)24(21,15-5-4-6-15)16-9-14(10-17(11-16)25(26,27)28)19-7-8-20(37-19)38(34,35)33(2)3/h7-11,15H,4-6,30H2,1-3H3,(H,31,32)
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n/an/a 498n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239649
PNG
(CHEMBL4065935)
Show SMILES CC(C)C1(c2c(OC(N)=C1C#N)n[nH]c2C1CC1)c1cc(cc(c1)C(F)(F)F)-c1ccc(s1)S(=O)(=O)N(C)C
Show InChI InChI=1S/C26H26F3N5O3S2/c1-13(2)25(18(12-30)23(31)37-24-21(25)22(32-33-24)14-5-6-14)16-9-15(10-17(11-16)26(27,28)29)19-7-8-20(38-19)39(35,36)34(3)4/h7-11,13-14H,5-6,31H2,1-4H3,(H,32,33)
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n/an/a 576n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239642
PNG
(CHEMBL4088964)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(Br)cc(c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C21H18BrClN4OS/c1-10(2)21(15(9-24)19(25)28-20-18(21)11(3)26-27-20)13-6-12(7-14(22)8-13)16-4-5-17(23)29-16/h4-8,10H,25H2,1-3H3,(H,26,27)
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n/an/a 892n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239651
PNG
(CHEMBL4099248)
Show SMILES CN(C)S(=O)(=O)c1ccc(s1)-c1cc(cc(c1)C1(C2CC2)c2c(C)[nH]nc2OC(N)=C1C#N)C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O3S2/c1-12-20-22(31-30-12)35-21(29)17(11-28)23(20,14-4-5-14)15-8-13(9-16(10-15)24(25,26)27)18-6-7-19(36-18)37(33,34)32(2)3/h6-10,14H,4-5,29H2,1-3H3,(H,30,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239665
PNG
(CHEMBL4060666)
Show SMILES CC(C)[C@@]1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(F)cc(c1)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C24H28FN5O3/c1-13(2)24(19(12-26)22(27)33-23-21(24)14(3)28-29-23)16-9-17(25)11-18(10-16)30-6-4-15(5-7-30)8-20(31)32/h9-11,13,15H,4-8,27H2,1-3H3,(H,28,29)(H,31,32)/t24-/m1/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239644
PNG
(CHEMBL4082315)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(OC(F)(F)F)cc(c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C22H18ClF3N4O2S/c1-10(2)21(15(9-27)19(28)31-20-18(21)11(3)29-30-20)13-6-12(16-4-5-17(23)33-16)7-14(8-13)32-22(24,25)26/h4-8,10H,28H2,1-3H3,(H,29,30)
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n/an/a 3.76E+3n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239645
PNG
(CHEMBL4090164)
Show SMILES CC(C)c1cc(cc(c1)C1(C(C)C)c2c(C)[nH]nc2OC(N)=C1C#N)-c1ccc(Cl)s1
Show InChI InChI=1S/C24H25ClN4OS/c1-12(2)15-8-16(19-6-7-20(25)31-19)10-17(9-15)24(13(3)4)18(11-26)22(27)30-23-21(24)14(5)28-29-23/h6-10,12-13H,27H2,1-5H3,(H,28,29)
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n/an/a 4.51E+3n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239646
PNG
(CHEMBL4084834)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(cc(c1)C(C)(C)C)-c1ccc(Cl)s1
Show InChI InChI=1S/C25H27ClN4OS/c1-13(2)25(18(12-27)22(28)31-23-21(25)14(3)29-30-23)17-10-15(19-7-8-20(26)32-19)9-16(11-17)24(4,5)6/h7-11,13H,28H2,1-6H3,(H,29,30)
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n/an/a 5.50E+3n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair
SHMT


(Plasmodium falciparum)
BDBM50239670
PNG
(CHEMBL4062141)
Show SMILES CC(C)C1(c2c(C)[nH]nc2OC(N)=C1C#N)c1cc(CC(F)(F)F)cc(c1)-c1ccc(Cl)s1
Show InChI InChI=1S/C23H20ClF3N4OS/c1-11(2)23(16(10-28)20(29)32-21-19(23)12(3)30-31-21)15-7-13(9-22(25,26)27)6-14(8-15)17-4-5-18(24)33-17/h4-8,11H,9,29H2,1-3H3,(H,30,31)
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n/an/a 7.11E+3n/an/an/an/an/an/a



Laboratorium f�r Organische Chemie, ETH Zurich , Vladimir-Prelog-Weg 3, 8093 Zurich, Switzerland.

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum SHMT using L-serine/(6S)-THF as substrate by methylene tetrahydrofolate dehydrogenase coupled enzyme assay


J Med Chem 60: 4840-4860 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00008
BindingDB Entry DOI: 10.7270/Q2959KPJ
More data for this
Ligand-Target Pair