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Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'hans' and Initial = 'rh'   
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
Falcipain-2


(Plasmodium falciparum)
BDBM50157741
PNG
(CHEMBL374508 | E-64 | E64)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
Show InChI InChI=1S/C15H27N5O5/c1-8(2)7-9(20-13(22)10-11(25-10)14(23)24)12(21)18-5-3-4-6-19-15(16)17/h8-11H,3-7H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/t9-,10-,11-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415544
PNG
(CHEMBL597626)
Show SMILES COc1ccc(C(=O)\C=C\c2cccc(OCC#C)c2)c(OC)c1OC
Show InChI InChI=1S/C21H20O5/c1-5-13-26-16-8-6-7-15(14-16)9-11-18(22)17-10-12-19(23-2)21(25-4)20(17)24-3/h1,6-12,14H,13H2,2-4H3/b11-9+
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n/an/a>1.90E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415534
PNG
(CHEMBL606235)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC#C)cc2)cc1
Show InChI InChI=1S/C19H16O3/c1-3-14-22-18-11-7-16(8-12-18)19(20)13-6-15-4-9-17(21-2)10-5-15/h1,4-13H,14H2,2H3/b13-6+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415535
PNG
(CHEMBL589904)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(OCC#C)c2)c(OC)c1OC
Show InChI InChI=1S/C21H20O5/c1-5-13-26-17-8-6-7-16(14-17)18(22)11-9-15-10-12-19(23-2)21(25-4)20(15)24-3/h1,6-12,14H,13H2,2-4H3/b11-9+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415536
PNG
(CHEMBL589903)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(OCC#C)c2)c(OC)c1
Show InChI InChI=1S/C20H18O4/c1-4-12-24-18-7-5-6-16(13-18)19(21)11-9-15-8-10-17(22-2)14-20(15)23-3/h1,5-11,13-14H,12H2,2-3H3/b11-9+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415537
PNG
(CHEMBL596611)
Show SMILES COc1ccc(\C=C\C(=O)c2cccc(OCC#C)c2)cc1
Show InChI InChI=1S/C19H16O3/c1-3-13-22-18-6-4-5-16(14-18)19(20)12-9-15-7-10-17(21-2)11-8-15/h1,4-12,14H,13H2,2H3/b12-9+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415538
PNG
(CHEMBL596610)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2OCC#C)c(OC)c1OC
Show InChI InChI=1S/C21H20O5/c1-5-14-26-18-9-7-6-8-16(18)17(22)12-10-15-11-13-19(23-2)21(25-4)20(15)24-3/h1,6-13H,14H2,2-4H3/b12-10+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415539
PNG
(CHEMBL597220)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2OCC#C)c(OC)c1
Show InChI InChI=1S/C20H18O4/c1-4-13-24-19-8-6-5-7-17(19)18(21)12-10-15-9-11-16(22-2)14-20(15)23-3/h1,5-12,14H,13H2,2-3H3/b12-10+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415540
PNG
(CHEMBL597219)
Show SMILES COc1ccc(\C=C\C(=O)c2ccccc2OCC#C)cc1
Show InChI InChI=1S/C19H16O3/c1-3-14-22-19-7-5-4-6-17(19)18(20)13-10-15-8-11-16(21-2)12-9-15/h1,4-13H,14H2,2H3/b13-10+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415541
PNG
(CHEMBL597017)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(OCC#C)cc2)c(OC)c1OC
Show InChI InChI=1S/C21H20O5/c1-5-14-26-16-9-6-15(7-10-16)8-12-18(22)17-11-13-19(23-2)21(25-4)20(17)24-3/h1,6-13H,14H2,2-4H3/b12-8+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415542
PNG
(CHEMBL602103)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(OCC#C)cc2)c(OC)c1
Show InChI InChI=1S/C20H18O4/c1-4-13-24-16-8-5-15(6-9-16)7-12-19(21)18-11-10-17(22-2)14-20(18)23-3/h1,5-12,14H,13H2,2-3H3/b12-7+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415543
PNG
(CHEMBL589510)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(OCC#C)cc1
Show InChI InChI=1S/C19H16O3/c1-3-14-22-18-9-4-15(5-10-18)6-13-19(20)16-7-11-17(21-2)12-8-16/h1,4-13H,14H2,2H3/b13-6+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415545
PNG
(CHEMBL597625)
Show SMILES COc1ccc(C(=O)\C=C\c2cccc(OCC#C)c2)c(OC)c1
Show InChI InChI=1S/C20H18O4/c1-4-12-24-17-7-5-6-15(13-17)8-11-19(21)18-10-9-16(22-2)14-20(18)23-3/h1,5-11,13-14H,12H2,2-3H3/b11-8+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415546
PNG
(CHEMBL597624)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1cccc(OCC#C)c1
Show InChI InChI=1S/C19H16O3/c1-3-13-22-18-6-4-5-15(14-18)7-12-19(20)16-8-10-17(21-2)11-9-16/h1,4-12,14H,13H2,2H3/b12-7+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415547
PNG
(CHEMBL597896)
Show SMILES COc1ccc(C(=O)\C=C\c2ccccc2OCC#C)c(OC)c1OC
Show InChI InChI=1S/C21H20O5/c1-5-14-26-18-9-7-6-8-15(18)10-12-17(22)16-11-13-19(23-2)21(25-4)20(16)24-3/h1,6-13H,14H2,2-4H3/b12-10+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415548
PNG
(CHEMBL589509)
Show SMILES COc1ccc(C(=O)\C=C\c2ccccc2OCC#C)c(OC)c1
Show InChI InChI=1S/C20H18O4/c1-4-13-24-19-8-6-5-7-15(19)9-12-18(21)17-11-10-16(22-2)14-20(17)23-3/h1,5-12,14H,13H2,2-3H3/b12-9+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415533
PNG
(CHEMBL592268)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC#C)cc2)c(OC)c1
Show InChI InChI=1S/C20H18O4/c1-4-13-24-17-9-5-15(6-10-17)19(21)12-8-16-7-11-18(22-2)14-20(16)23-3/h1,5-12,14H,13H2,2-3H3/b12-8+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415549
PNG
(CHEMBL597892)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccccc1OCC#C
Show InChI InChI=1S/C19H16O3/c1-3-14-22-19-7-5-4-6-16(19)10-13-18(20)15-8-11-17(21-2)12-9-15/h1,4-13H,14H2,2H3/b13-10+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)
BDBM50415532
PNG
(CHEMBL592303)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(OCC#C)cc2)c(OC)c1OC
Show InChI InChI=1S/C21H20O5/c1-5-14-26-17-10-6-15(7-11-17)18(22)12-8-16-9-13-19(23-2)21(25-4)20(16)24-3/h1,6-13H,14H2,2-4H3/b12-8+
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University of Cape Town

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum falcipain-2


Bioorg Med Chem Lett 20: 942-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.062
BindingDB Entry DOI: 10.7270/Q26M383G
More data for this
Ligand-Target Pair