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Compile Data Set for Download or QSAR

Found 910 hits with Last Name = 'gilbert' and Initial = 'ih'   
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
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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0.0380n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50077798
PNG
(2-{4-[(3-Carboxy-propyl)-(2,4-diamino-pteridin-6-y...)
Show SMILES Nc1nc(N)c2nc(CN(CCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C23H26N8O7/c24-19-18-20(30-23(25)29-19)26-10-13(27-18)11-31(9-1-2-16(32)33)14-5-3-12(4-6-14)21(36)28-15(22(37)38)7-8-17(34)35/h3-6,10,15H,1-2,7-9,11H2,(H,28,36)(H,32,33)(H,34,35)(H,37,38)(H4,24,25,26,29,30)
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0.107n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50077796
PNG
(2-{4-[(4-Carboxy-butyl)-(2,4-diamino-pteridin-6-yl...)
Show SMILES Nc1nc(N)c2nc(CN(CCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C24H28N8O7/c25-20-19-21(31-24(26)30-20)27-11-14(28-19)12-32(10-2-1-3-17(33)34)15-6-4-13(5-7-15)22(37)29-16(23(38)39)8-9-18(35)36/h4-7,11,16H,1-3,8-10,12H2,(H,29,37)(H,33,34)(H,35,36)(H,38,39)(H4,25,26,27,30,31)
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0.131n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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0.179n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase in humans


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50077799
PNG
(2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...)
Show SMILES Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C25H30N8O7/c26-21-20-22(32-25(27)31-21)28-12-15(29-20)13-33(11-3-1-2-4-18(34)35)16-7-5-14(6-8-16)23(38)30-17(24(39)40)9-10-19(36)37/h5-8,12,17H,1-4,9-11,13H2,(H,30,38)(H,34,35)(H,36,37)(H,39,40)(H4,26,27,28,31,32)
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0.183n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50195587
PNG
(1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-...)
Show SMILES OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O
Show InChI InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1
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0.860n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


Eur J Med Chem 45: 5140-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.026
BindingDB Entry DOI: 10.7270/Q24J0FB7
More data for this
Ligand-Target Pair
Uridine phosphorylase (UPase)


(Homo sapiens (Human))
BDBM50330391
PNG
(5-(3-(benzyloxy)benzyl)-1-((2-hydroxyethoxy)methyl...)
Show SMILES OCCOCn1c(O)c(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27)
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1.10n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of human uridine phosphorylase


Eur J Med Chem 45: 5140-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.026
BindingDB Entry DOI: 10.7270/Q24J0FB7
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330391
PNG
(5-(3-(benzyloxy)benzyl)-1-((2-hydroxyethoxy)methyl...)
Show SMILES OCCOCn1c(O)c(Cc2cccc(OCc3ccccc3)c2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O6/c24-9-10-28-14-23-20(26)18(19(25)22-21(23)27)12-16-7-4-8-17(11-16)29-13-15-5-2-1-3-6-15/h1-8,11,24,26H,9-10,12-14H2,(H,22,25,27)
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1.10n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


Eur J Med Chem 45: 5140-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.026
BindingDB Entry DOI: 10.7270/Q24J0FB7
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50077796
PNG
(2-{4-[(4-Carboxy-butyl)-(2,4-diamino-pteridin-6-yl...)
Show SMILES Nc1nc(N)c2nc(CN(CCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C24H28N8O7/c25-20-19-21(31-24(26)30-20)27-11-14(28-19)12-32(10-2-1-3-17(33)34)15-6-4-13(5-7-15)22(37)29-16(23(38)39)8-9-18(35)36/h4-7,11,16H,1-3,8-10,12H2,(H,29,37)(H,33,34)(H,35,36)(H,38,39)(H4,25,26,27,30,31)
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1.5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase in humans


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50077799
PNG
(2-{4-[(5-Carboxy-pentyl)-(2,4-diamino-pteridin-6-y...)
Show SMILES Nc1nc(N)c2nc(CN(CCCCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C25H30N8O7/c26-21-20-22(32-25(27)31-21)28-12-15(29-20)13-33(11-3-1-2-4-18(34)35)16-7-5-14(6-8-16)23(38)30-17(24(39)40)9-10-19(36)37/h5-8,12,17H,1-4,9-11,13H2,(H,30,38)(H,34,35)(H,36,37)(H,39,40)(H4,26,27,28,31,32)
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1.60n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50077798
PNG
(2-{4-[(3-Carboxy-propyl)-(2,4-diamino-pteridin-6-y...)
Show SMILES Nc1nc(N)c2nc(CN(CCCC(O)=O)c3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Show InChI InChI=1S/C23H26N8O7/c24-19-18-20(30-23(25)29-19)26-10-13(27-18)11-31(9-1-2-16(32)33)14-5-3-12(4-6-14)21(36)28-15(22(37)38)7-8-17(34)35/h3-6,10,15H,1-2,7-9,11H2,(H,28,36)(H,32,33)(H,34,35)(H,37,38)(H4,24,25,26,29,30)
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2n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against dihydrofolate reductase in humans


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50330390
PNG
(5'-methylthio-immucillin-H | CHEMBL1275659)
Show SMILES CS[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1cc2nc[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C11H14N4O3S/c1-19-11-9(17)8(16)6(15-11)5-2-4-7(14-5)10(18)13-3-12-4/h2-3,6,8-9,11,14-17H,1H3,(H,12,13,18)/t6-,8-,9-,11+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Instituto de Parasitología y Biomedicina López-Neyra

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum PNP expressed in Escherichia coli BL21(DE3) cells by spectrophotometry


Eur J Med Chem 45: 5140-9 (2010)


Article DOI: 10.1016/j.ejmech.2010.08.026
BindingDB Entry DOI: 10.7270/Q24J0FB7
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081905
PNG
(5-(3-Butoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C15H20N4O/c1-2-3-7-20-13-6-4-5-11(9-13)8-12-10-18-15(17)19-14(12)16/h4-6,9-10H,2-3,7-8H2,1H3,(H4,16,17,18,19)
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3.60n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081918
PNG
(5-(4-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C14H18N4O/c1-2-7-19-12-5-3-10(4-6-12)8-11-9-17-14(16)18-13(11)15/h3-6,9H,2,7-8H2,1H3,(H4,15,16,17,18)
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6.40n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31801
PNG
(2-aminobenzimidazole deriv., 12)
Show SMILES Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H15Cl2N3/c21-16-10-9-13(11-17(16)22)12-25-19-15(14-5-2-1-3-6-14)7-4-8-18(19)24-20(25)23/h1-11H,12H2,(H2,23,24)
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7 -46.2n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081916
PNG
(5-(3-Pentyloxy-benzyl)-pyrimidine-2,4-diamine | CH...)
Show SMILES CCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C16H22N4O/c1-2-3-4-8-21-14-7-5-6-12(10-14)9-13-11-19-16(18)20-15(13)17/h5-7,10-11H,2-4,8-9H2,1H3,(H4,17,18,19,20)
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7.10n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081907
PNG
(5-(3-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-4-9(7-11)6-10-8-16-13(15)17-12(10)14/h3-5,7-8H,2,6H2,1H3,(H4,14,15,16,17)
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8.60n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081922
PNG
(5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...)
Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)
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8.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081908
PNG
(5-(3-Methoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES COc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C12H14N4O/c1-17-10-4-2-3-8(6-10)5-9-7-15-12(14)16-11(9)13/h2-4,6-7H,5H2,1H3,(H4,13,14,15,16)
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9.60n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081917
PNG
(5-(3-Hexyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...)
Show SMILES CCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C17H24N4O/c1-2-3-4-5-9-22-15-8-6-7-13(11-15)10-14-12-20-17(19)21-16(14)18/h6-8,11-12H,2-5,9-10H2,1H3,(H4,18,19,20,21)
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9.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081921
PNG
(5-(4-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
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9.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50148767
PNG
(2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrog...)
Show SMILES ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Show InChI InChI=1S/C4H10NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-3,6-7,9H,1H2,(H,5,8)(H2,10,11,12)/t2-,3-/m1/s1
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10n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli


J Med Chem 47: 3427-37 (2004)


Article DOI: 10.1021/jm031066i
BindingDB Entry DOI: 10.7270/Q2S1837H
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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10n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081920
PNG
(5-(3-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)
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10.5n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081909
PNG
(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1
Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)
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11n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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11n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081915
PNG
(5-[3-(Tetrahydro-pyran-2-yloxy)-benzyl]-pyrimidine...)
Show SMILES Nc1ncc(Cc2cccc(OC3CCCCO3)c2)c(N)n1
Show InChI InChI=1S/C16H20N4O2/c17-15-12(10-19-16(18)20-15)8-11-4-3-5-13(9-11)22-14-6-1-2-7-21-14/h3-5,9-10,14H,1-2,6-8H2,(H4,17,18,19,20)
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13n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50077794
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(3-ethoxyc...)
Show SMILES CCOC(=O)CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC
Show InChI InChI=1S/C29H38N8O7/c1-4-42-22(38)8-7-15-37(17-19-16-32-26-24(33-19)25(30)35-29(31)36-26)20-11-9-18(10-12-20)27(40)34-21(28(41)44-6-3)13-14-23(39)43-5-2/h9-12,16,21H,4-8,13-15,17H2,1-3H3,(H,34,40)(H4,30,31,32,35,36)
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14n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081906
PNG
(6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diam...)
Show SMILES CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1
Show InChI InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)
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19n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081922
PNG
(5-(3-Isopropoxy-benzyl)-pyrimidine-2,4-diamine | C...)
Show SMILES CC(C)Oc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-9(2)19-12-5-3-4-10(7-12)6-11-8-17-14(16)18-13(11)15/h3-5,7-9H,6H2,1-2H3,(H4,15,16,17,18)
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23n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081910
PNG
(5-(3-Octyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...)
Show SMILES CCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C19H28N4O/c1-2-3-4-5-6-7-11-24-17-10-8-9-15(13-17)12-16-14-22-19(21)23-18(16)20/h8-10,13-14H,2-7,11-12H2,1H3,(H4,20,21,22,23)
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24n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50148780
PNG
(((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dio...)
Show SMILES CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(=O)NO
Show InChI InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1
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35n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli


J Med Chem 47: 3427-37 (2004)


Article DOI: 10.1021/jm031066i
BindingDB Entry DOI: 10.7270/Q2S1837H
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081911
PNG
(5-(3-Nonyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...)
Show SMILES CCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C20H30N4O/c1-2-3-4-5-6-7-8-12-25-18-11-9-10-16(14-18)13-17-15-23-20(22)24-19(17)21/h9-11,14-15H,2-8,12-13H2,1H3,(H4,21,22,23,24)
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36n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50077797
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(4-ethoxyc...)
Show SMILES CCOC(=O)CCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC
Show InChI InChI=1S/C30H40N8O7/c1-4-43-23(39)9-7-8-16-38(18-20-17-33-27-25(34-20)26(31)36-30(32)37-27)21-12-10-19(11-13-21)28(41)35-22(29(42)45-6-3)14-15-24(40)44-5-2/h10-13,17,22H,4-9,14-16,18H2,1-3H3,(H,35,41)(H4,31,32,33,36,37)
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46n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Pteridine Reductase 1 (PTR1)


(Trypanosoma brucei brucei)
BDBM31800
PNG
(2-aminobenzimidazole deriv., 11)
Show SMILES CCCOc1cccc2nc(N)n(Cc3ccc(Cl)c(Cl)c3)c12
Show InChI InChI=1S/C17H17Cl2N3O/c1-2-8-23-15-5-3-4-14-16(15)22(17(20)21-14)10-11-6-7-12(18)13(19)9-11/h3-7,9H,2,8,10H2,1H3,(H2,20,21)
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47 -41.5n/an/an/an/an/a6.023



University of Dundee



Assay Description
TbPTR1 activity was measured in 96-well microtiter plates via reduction of cytochrome c (cytc) as a result of the enzymatic production of tetrahydrob...


J Med Chem 52: 4454-65 (2009)


Article DOI: 10.1021/jm900414x
BindingDB Entry DOI: 10.7270/Q28050X3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081906
PNG
(6-Ethyl-5-(3-heptyloxy-benzyl)-pyrimidine-2,4-diam...)
Show SMILES CCCCCCCOc1cccc(Cc2c(N)nc(N)nc2CC)c1
Show InChI InChI=1S/C20H30N4O/c1-3-5-6-7-8-12-25-16-11-9-10-15(13-16)14-17-18(4-2)23-20(22)24-19(17)21/h9-11,13H,3-8,12,14H2,1-2H3,(H4,21,22,23,24)
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48n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081913
PNG
(5-(3-Decyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...)
Show SMILES CCCCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C21H32N4O/c1-2-3-4-5-6-7-8-9-13-26-19-12-10-11-17(15-19)14-18-16-24-21(23)25-20(18)22/h10-12,15-16H,2-9,13-14H2,1H3,(H4,22,23,24,25)
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52n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50077795
PNG
(2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-(5-ethoxyc...)
Show SMILES CCOC(=O)CCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)OCC)C(=O)OCC
Show InChI InChI=1S/C31H42N8O7/c1-4-44-24(40)10-8-7-9-17-39(19-21-18-34-28-26(35-21)27(32)37-31(33)38-28)22-13-11-20(12-14-22)29(42)36-23(30(43)46-6-3)15-16-25(41)45-5-2/h11-14,18,23H,4-10,15-17,19H2,1-3H3,(H,36,42)(H4,32,33,34,37,38)
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56n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi dihydrofolate reductase


Bioorg Med Chem Lett 9: 1463-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00213-9
BindingDB Entry DOI: 10.7270/Q2BZ657V
More data for this
Ligand-Target Pair
Farnesyltransferase, putative


(Trypanosoma cruzi)
BDBM50052351
PNG
(3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...)
Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2
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62n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi squalene synthase


Antimicrob Agents Chemother 51: 4049-61 (2007)


Article DOI: 10.1128/AAC.00205-07
BindingDB Entry DOI: 10.7270/Q2MS3SJZ
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081909
PNG
(5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-...)
Show SMILES Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1
Show InChI InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)9-14-7-4-8-16(10-14)23-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H4,19,20,21,22)
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65n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081912
PNG
(5-(3-Heptyloxy-benzyl)-6-methyl-pyrimidine-2,4-dia...)
Show SMILES CCCCCCCOc1cccc(Cc2c(C)nc(N)nc2N)c1
Show InChI InChI=1S/C19H28N4O/c1-3-4-5-6-7-11-24-16-10-8-9-15(12-16)13-17-14(2)22-19(21)23-18(17)20/h8-10,12H,3-7,11,13H2,1-2H3,(H4,20,21,22,23)
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75n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50148765
PNG
(1-(hydroxyamino)-1-oxo-4-(phosphonooxy)butane-2,3-...)
Show SMILES CC(=O)O[C@H](COP(O)(O)=O)[C@@H](OC(C)=O)C(=O)NO
Show InChI InChI=1S/C8H14NO10P/c1-4(10)18-6(3-17-20(14,15)16)7(8(12)9-13)19-5(2)11/h6-7,13H,3H2,1-2H3,(H,9,12)(H2,14,15,16)/t6-,7-/m1/s1
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80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli


J Med Chem 47: 3427-37 (2004)


Article DOI: 10.1021/jm031066i
BindingDB Entry DOI: 10.7270/Q2S1837H
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081915
PNG
(5-[3-(Tetrahydro-pyran-2-yloxy)-benzyl]-pyrimidine...)
Show SMILES Nc1ncc(Cc2cccc(OC3CCCCO3)c2)c(N)n1
Show InChI InChI=1S/C16H20N4O2/c17-15-12(10-19-16(18)20-15)8-11-4-3-5-13(9-11)22-14-6-1-2-7-21-14/h3-5,9-10,14H,1-2,6-8H2,(H4,17,18,19,20)
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93n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081910
PNG
(5-(3-Octyloxy-benzyl)-pyrimidine-2,4-diamine | CHE...)
Show SMILES CCCCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C19H28N4O/c1-2-3-4-5-6-7-11-24-17-10-8-9-15(13-17)12-16-14-22-19(21)23-18(16)20/h8-10,13-14H,2-7,11-12H2,1H3,(H4,20,21,22,23)
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97n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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98n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Trypanosoma cruzi.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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120n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from humans.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
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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120n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
6-phosphogluconate dehydrogenase (6PGD)


(Homo sapiens (Human))
BDBM50148790
PNG
((2R,3R)-2,3-Dihydroxy-4-phosphonooxy-butyric acid ...)
Show SMILES O[C@H](COP(O)(O)=O)[C@@H](O)C([O-])=O
Show InChI InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/p-1/t2-,3-/m1/s1
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130n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma brucei expressed in Escherichia coli


J Med Chem 47: 3427-37 (2004)


Article DOI: 10.1021/jm031066i
BindingDB Entry DOI: 10.7270/Q2S1837H
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081920
PNG
(5-(3-Propoxy-benzyl)-pyrimidine-2,4-diamine | CHEM...)
Show SMILES CCCOc1cccc(Cc2cnc(N)nc2N)c1
Show InChI InChI=1S/C14H18N4O/c1-2-6-19-12-5-3-4-10(8-12)7-11-9-17-14(16)18-13(11)15/h3-5,8-9H,2,6-7H2,1H3,(H4,15,16,17,18)
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130n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
Dihydrofolate reductase


(Homo sapiens (Human))
BDBM50081921
PNG
(5-(4-Ethoxy-benzyl)-pyrimidine-2,4-diamine | CHEMB...)
Show SMILES CCOc1ccc(Cc2cnc(N)nc2N)cc1
Show InChI InChI=1S/C13H16N4O/c1-2-18-11-5-3-9(4-6-11)7-10-8-16-13(15)17-12(10)14/h3-6,8H,2,7H2,1H3,(H4,14,15,16,17)
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130n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dihydrofolate reductase from Leishmania major.


J Med Chem 42: 4300-12 (1999)


Article DOI: 10.1021/jm981130+
BindingDB Entry DOI: 10.7270/Q21R6PQG
More data for this
Ligand-Target Pair
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