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Compile Data Set for Download or QSAR

Found 84 hits of ic50 for UniProtKB: P25805   
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
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486854
PNG
(CHEMBL2237711)
Show SMILES Clc1ccc(Cl)c(\C=C\C(=O)c2ccnc3ccccc23)c1
Show InChI InChI=1S/C18H11Cl2NO/c19-13-6-7-16(20)12(11-13)5-8-18(22)15-9-10-21-17-4-2-1-3-14(15)17/h1-11H/b8-5+
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486854
PNG
(CHEMBL2237711)
Show SMILES Clc1ccc(Cl)c(\C=C\C(=O)c2ccnc3ccccc23)c1
Show InChI InChI=1S/C18H11Cl2NO/c19-13-6-7-16(20)12(11-13)5-8-18(22)15-9-10-21-17-4-2-1-3-14(15)17/h1-11H/b8-5+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486869
PNG
(CHEMBL2237687)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)c(OC)c1OC
Show InChI InChI=1S/C18H16Cl2O4/c1-22-16-9-5-11(17(23-2)18(16)24-3)4-8-15(21)13-7-6-12(19)10-14(13)20/h4-10H,1-3H3/b8-4+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486869
PNG
(CHEMBL2237687)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)c(OC)c1OC
Show InChI InChI=1S/C18H16Cl2O4/c1-22-16-9-5-11(17(23-2)18(16)24-3)4-8-15(21)13-7-6-12(19)10-14(13)20/h4-10H,1-3H3/b8-4+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486846
PNG
(CHEMBL2237688)
Show SMILES COc1ccc(\C=C\C(=O)c2cc3ccccc3nc2Cl)cc1OC
Show InChI InChI=1S/C20H16ClNO3/c1-24-18-10-8-13(11-19(18)25-2)7-9-17(23)15-12-14-5-3-4-6-16(14)22-20(15)21/h3-12H,1-2H3/b9-7+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486846
PNG
(CHEMBL2237688)
Show SMILES COc1ccc(\C=C\C(=O)c2cc3ccccc3nc2Cl)cc1OC
Show InChI InChI=1S/C20H16ClNO3/c1-24-18-10-8-13(11-19(18)25-2)7-9-17(23)15-12-14-5-3-4-6-16(14)22-20(15)21/h3-12H,1-2H3/b9-7+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486876
PNG
(CHEMBL2237689)
Show SMILES Clc1nc2ccccc2cc1C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C17H11ClN2O/c18-17-14(10-13-5-1-2-6-15(13)20-17)16(21)8-7-12-4-3-9-19-11-12/h1-11H/b8-7+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486876
PNG
(CHEMBL2237689)
Show SMILES Clc1nc2ccccc2cc1C(=O)\C=C\c1cccnc1
Show InChI InChI=1S/C17H11ClN2O/c18-17-14(10-13-5-1-2-6-15(13)20-17)16(21)8-7-12-4-3-9-19-11-12/h1-11H/b8-7+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486850
PNG
(CHEMBL58557)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(cc2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C18H15F3O3/c1-23-15-9-5-13(17(11-15)24-2)6-10-16(22)12-3-7-14(8-4-12)18(19,20)21/h3-11H,1-2H3/b10-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486850
PNG
(CHEMBL58557)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(cc2)C(F)(F)F)c(OC)c1
Show InChI InChI=1S/C18H15F3O3/c1-23-15-9-5-13(17(11-15)24-2)6-10-16(22)12-3-7-14(8-4-12)18(19,20)21/h3-11H,1-2H3/b10-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486868
PNG
(CHEMBL2237690)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C17H14Cl2O3/c1-21-13-5-8-17(22-2)11(9-13)3-7-16(20)14-6-4-12(18)10-15(14)19/h3-10H,1-2H3/b7-3+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486868
PNG
(CHEMBL2237690)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2ccc(Cl)cc2Cl)c1
Show InChI InChI=1S/C17H14Cl2O3/c1-21-13-5-8-17(22-2)11(9-13)3-7-16(20)14-6-4-12(18)10-15(14)19/h3-10H,1-2H3/b7-3+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486849
PNG
(CHEMBL2237691)
Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClO3/c1-20-16-4-3-5-17(21-2)14(16)10-11-15(19)12-6-8-13(18)9-7-12/h3-11H,1-2H3/b11-10+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486849
PNG
(CHEMBL2237691)
Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClO3/c1-20-16-4-3-5-17(21-2)14(16)10-11-15(19)12-6-8-13(18)9-7-12/h3-11H,1-2H3/b11-10+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486867
PNG
(CHEMBL2237692)
Show SMILES Clc1ccc(\C=C\C(=O)c2ccnc3ccccc23)cc1Cl
Show InChI InChI=1S/C18H11Cl2NO/c19-15-7-5-12(11-16(15)20)6-8-18(22)14-9-10-21-17-4-2-1-3-13(14)17/h1-11H/b8-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486867
PNG
(CHEMBL2237692)
Show SMILES Clc1ccc(\C=C\C(=O)c2ccnc3ccccc23)cc1Cl
Show InChI InChI=1S/C18H11Cl2NO/c19-15-7-5-12(11-16(15)20)6-8-18(22)14-9-10-21-17-4-2-1-3-13(14)17/h1-11H/b8-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486845
PNG
(CHEMBL146192)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)c(OC)c1
Show InChI InChI=1S/C17H14Cl2O3/c1-21-13-6-3-11(17(10-13)22-2)4-8-16(20)14-7-5-12(18)9-15(14)19/h3-10H,1-2H3/b8-4+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486845
PNG
(CHEMBL146192)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2Cl)c(OC)c1
Show InChI InChI=1S/C17H14Cl2O3/c1-21-13-6-3-11(17(10-13)22-2)4-8-16(20)14-7-5-12(18)9-15(14)19/h3-10H,1-2H3/b8-4+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486865
PNG
(CHEMBL2237695)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C17H14Cl2O3/c1-21-12-7-9-16(22-2)11(10-12)6-8-15(20)13-4-3-5-14(18)17(13)19/h3-10H,1-2H3/b8-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486865
PNG
(CHEMBL2237695)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2cccc(Cl)c2Cl)c1
Show InChI InChI=1S/C17H14Cl2O3/c1-21-12-7-9-16(22-2)11(10-12)6-8-15(20)13-4-3-5-14(18)17(13)19/h3-10H,1-2H3/b8-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486873
PNG
(CHEMBL2237693)
Show SMILES COc1ccc(\C=C\C(=O)c2cc3ccccc3nc2Cl)c(OC)c1
Show InChI InChI=1S/C20H16ClNO3/c1-24-15-9-7-13(19(12-15)25-2)8-10-18(23)16-11-14-5-3-4-6-17(14)22-20(16)21/h3-12H,1-2H3/b10-8+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486873
PNG
(CHEMBL2237693)
Show SMILES COc1ccc(\C=C\C(=O)c2cc3ccccc3nc2Cl)c(OC)c1
Show InChI InChI=1S/C20H16ClNO3/c1-24-15-9-7-13(19(12-15)25-2)8-10-18(23)16-11-14-5-3-4-6-17(14)22-20(16)21/h3-12H,1-2H3/b10-8+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486866
PNG
(CHEMBL2237694)
Show SMILES Fc1ccc(\C=C\C(=O)c2cc3ccccc3nc2Cl)c(F)c1
Show InChI InChI=1S/C18H10ClF2NO/c19-18-14(9-12-3-1-2-4-16(12)22-18)17(23)8-6-11-5-7-13(20)10-15(11)21/h1-10H/b8-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486866
PNG
(CHEMBL2237694)
Show SMILES Fc1ccc(\C=C\C(=O)c2cc3ccccc3nc2Cl)c(F)c1
Show InChI InChI=1S/C18H10ClF2NO/c19-18-14(9-12-3-1-2-4-16(12)22-18)17(23)8-6-11-5-7-13(20)10-15(11)21/h1-10H/b8-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486872
PNG
(CHEMBL2237696)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Cl)c2Cl)cc1OC
Show InChI InChI=1S/C17H14Cl2O3/c1-21-15-9-7-11(10-16(15)22-2)6-8-14(20)12-4-3-5-13(18)17(12)19/h3-10H,1-2H3/b8-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486872
PNG
(CHEMBL2237696)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Cl)c2Cl)cc1OC
Show InChI InChI=1S/C17H14Cl2O3/c1-21-15-9-7-11(10-16(15)22-2)6-8-14(20)12-4-3-5-13(18)17(12)19/h3-10H,1-2H3/b8-6+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486851
PNG
(CHEMBL570849)
Show SMILES Clc1ccc(C(=O)\C=C\c2ccc(cc2)-n2ccnc2)c(Cl)c1
Show InChI InChI=1S/C18H12Cl2N2O/c19-14-4-7-16(17(20)11-14)18(23)8-3-13-1-5-15(6-2-13)22-10-9-21-12-22/h1-12H/b8-3+
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n/an/a 1.18E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486851
PNG
(CHEMBL570849)
Show SMILES Clc1ccc(C(=O)\C=C\c2ccc(cc2)-n2ccnc2)c(Cl)c1
Show InChI InChI=1S/C18H12Cl2N2O/c19-14-4-7-16(17(20)11-14)18(23)8-3-13-1-5-15(6-2-13)22-10-9-21-12-22/h1-12H/b8-3+
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n/an/a 1.18E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486864
PNG
(CHEMBL2237697)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Cl)c2Cl)c(OC)c1
Show InChI InChI=1S/C17H14Cl2O3/c1-21-12-8-6-11(16(10-12)22-2)7-9-15(20)13-4-3-5-14(18)17(13)19/h3-10H,1-2H3/b9-7+
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n/an/a 1.38E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486864
PNG
(CHEMBL2237697)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(Cl)c2Cl)c(OC)c1
Show InChI InChI=1S/C17H14Cl2O3/c1-21-12-8-6-11(16(10-12)22-2)7-9-15(20)13-4-3-5-14(18)17(13)19/h3-10H,1-2H3/b9-7+
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TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486874
PNG
(CHEMBL2237707)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2ccccn2)c1
Show InChI InChI=1S/C16H15NO3/c1-19-13-7-9-16(20-2)12(11-13)6-8-15(18)14-5-3-4-10-17-14/h3-11H,1-2H3/b8-6+
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486874
PNG
(CHEMBL2237707)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2ccccn2)c1
Show InChI InChI=1S/C16H15NO3/c1-19-13-7-9-16(20-2)12(11-13)6-8-15(18)14-5-3-4-10-17-14/h3-11H,1-2H3/b8-6+
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n/an/a 1.40E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486842
PNG
(CHEMBL2237705)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccn2)c(OC)c1
Show InChI InChI=1S/C16H15NO3/c1-19-13-8-6-12(16(11-13)20-2)7-9-15(18)14-5-3-4-10-17-14/h3-11H,1-2H3/b9-7+
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486842
PNG
(CHEMBL2237705)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccn2)c(OC)c1
Show InChI InChI=1S/C16H15NO3/c1-19-13-8-6-12(16(11-13)20-2)7-9-15(18)14-5-3-4-10-17-14/h3-11H,1-2H3/b9-7+
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486848
PNG
(CHEMBL142854)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(F)cc2F)c(OC)c1
Show InChI InChI=1S/C17H14F2O3/c1-21-13-6-3-11(17(10-13)22-2)4-8-16(20)14-7-5-12(18)9-15(14)19/h3-10H,1-2H3/b8-4+
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486848
PNG
(CHEMBL142854)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(F)cc2F)c(OC)c1
Show InChI InChI=1S/C17H14F2O3/c1-21-13-6-3-11(17(10-13)22-2)4-8-16(20)14-7-5-12(18)9-15(14)19/h3-10H,1-2H3/b8-4+
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n/an/a 1.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486863
PNG
(CHEMBL2237698)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(F)c(F)c2)c(OC)c1
Show InChI InChI=1S/C17H14F2O3/c1-21-13-6-3-11(17(10-13)22-2)5-8-16(20)12-4-7-14(18)15(19)9-12/h3-10H,1-2H3/b8-5+
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n/an/a 2.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486863
PNG
(CHEMBL2237698)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(F)c(F)c2)c(OC)c1
Show InChI InChI=1S/C17H14F2O3/c1-21-13-6-3-11(17(10-13)22-2)5-8-16(20)12-4-7-14(18)15(19)9-12/h3-10H,1-2H3/b8-5+
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n/an/a 2.09E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486855
PNG
(CHEMBL2237708)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccn2)c(OC)c1OC
Show InChI InChI=1S/C17H17NO4/c1-20-15-10-8-12(16(21-2)17(15)22-3)7-9-14(19)13-6-4-5-11-18-13/h4-11H,1-3H3/b9-7+
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486855
PNG
(CHEMBL2237708)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccn2)c(OC)c1OC
Show InChI InChI=1S/C17H17NO4/c1-20-15-10-8-12(16(21-2)17(15)22-3)7-9-14(19)13-6-4-5-11-18-13/h4-11H,1-3H3/b9-7+
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486844
PNG
(CHEMBL146137)
Show SMILES COc1ccc(C(=O)C(\C)=C\c2ccc(Cl)cc2Cl)c(OC)c1
Show InChI InChI=1S/C18H16Cl2O3/c1-11(8-12-4-5-13(19)9-16(12)20)18(21)15-7-6-14(22-2)10-17(15)23-3/h4-10H,1-3H3/b11-8+
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n/an/a 2.46E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486844
PNG
(CHEMBL146137)
Show SMILES COc1ccc(C(=O)C(\C)=C\c2ccc(Cl)cc2Cl)c(OC)c1
Show InChI InChI=1S/C18H16Cl2O3/c1-11(8-12-4-5-13(19)9-16(12)20)18(21)15-7-6-14(22-2)10-17(15)23-3/h4-10H,1-3H3/b11-8+
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n/an/a 2.46E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486856
PNG
(CHEMBL2237706)
Show SMILES COc1ccc(\C=C\C(=O)c2cccnc2)c(OC)c1
Show InChI InChI=1S/C16H15NO3/c1-19-14-7-5-12(16(10-14)20-2)6-8-15(18)13-4-3-9-17-11-13/h3-11H,1-2H3/b8-6+
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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486856
PNG
(CHEMBL2237706)
Show SMILES COc1ccc(\C=C\C(=O)c2cccnc2)c(OC)c1
Show InChI InChI=1S/C16H15NO3/c1-19-14-7-5-12(16(10-14)20-2)6-8-15(18)13-4-3-9-17-11-13/h3-11H,1-2H3/b8-6+
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n/an/a 2.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486861
PNG
(CHEMBL2237913)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2cccc3ccccc23)c1
Show InChI InChI=1S/C21H18O3/c1-23-17-11-13-21(24-2)16(14-17)10-12-20(22)19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,1-2H3/b12-10+
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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486861
PNG
(CHEMBL2237913)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2cccc3ccccc23)c1
Show InChI InChI=1S/C21H18O3/c1-23-17-11-13-21(24-2)16(14-17)10-12-20(22)19-9-5-7-15-6-3-4-8-18(15)19/h3-14H,1-2H3/b12-10+
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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486877
PNG
(CHEMBL2237914)
Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H18O3/c1-23-20-11-6-12-21(24-2)18(20)13-14-19(22)17-10-5-8-15-7-3-4-9-16(15)17/h3-14H,1-2H3/b14-13+
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n/an/a 3.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50486877
PNG
(CHEMBL2237914)
Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H18O3/c1-23-20-11-6-12-21(24-2)18(20)13-14-19(22)17-10-5-8-15-7-3-4-9-16(15)17/h3-14H,1-2H3/b14-13+
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n/an/a 3.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50452355
PNG
(CHEMBL2237710)
Show SMILES COc1ccc(\C=C\C(=O)c2ccncc2)c(OC)c1OC
Show InChI InChI=1S/C13H17NO/c15-10-5-3-9-4-6-13-11(12(9)8-10)2-1-7-14-13/h1-2,7,9-10,12,15H,3-6,8H2
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
Trophozoite cysteine proteinase


(Plasmodium falciparum)
BDBM50452355
PNG
(CHEMBL2237710)
Show SMILES COc1ccc(\C=C\C(=O)c2ccncc2)c(OC)c1OC
Show InChI InChI=1S/C13H17NO/c15-10-5-3-9-4-6-13-11(12(9)8-10)2-1-7-14-13/h1-2,7,9-10,12,15H,3-6,8H2
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n/an/a 3.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Plasmodium falciparum W2 cysteine protease


Citation and Details

Article DOI: 10.1007/s00044-011-9900-1
BindingDB Entry DOI: 10.7270/Q2TX3J78
More data for this
Ligand-Target Pair
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