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PubMed code 18417344

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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
Plasmepsin 2


(Plasmodium falciparum)
BDBM50377588
PNG
(CHEMBL257594)
Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C
Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)
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Article
PubMed
n/an/a 0.130n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay


Bioorg Med Chem Lett 18: 3011-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.060
BindingDB Entry DOI: 10.7270/Q2TT4RV5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50377588
PNG
(CHEMBL257594)
Show SMILES Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C
Show InChI InChI=1S/C22H19N3O2/c1-13-11-12-17-20(14(13)2)23-18-9-5-3-7-15(18)21(17)24-25-22(27)16-8-4-6-10-19(16)26/h3-12,26H,1-2H3,(H,23,24)(H,25,27)
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Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D by FRET assay


Bioorg Med Chem Lett 18: 3011-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.060
BindingDB Entry DOI: 10.7270/Q2TT4RV5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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Article
PubMed
n/an/a 0.550n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D by FRET assay


Bioorg Med Chem Lett 18: 3011-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.060
BindingDB Entry DOI: 10.7270/Q2TT4RV5
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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Article
PubMed
n/an/a 0.680n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay


Bioorg Med Chem Lett 18: 3011-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.060
BindingDB Entry DOI: 10.7270/Q2TT4RV5
More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM50377587
PNG
(CHEMBL404394)
Show SMILES Cc1cccc(c1)C(=O)NNc1c2ccccc2nc2c(C)c(C)ccc12
Show InChI InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 by FRET assay


Bioorg Med Chem Lett 18: 3011-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.060
BindingDB Entry DOI: 10.7270/Q2TT4RV5
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (human))
BDBM50377587
PNG
(CHEMBL404394)
Show SMILES Cc1cccc(c1)C(=O)NNc1c2ccccc2nc2c(C)c(C)ccc12
Show InChI InChI=1S/C23H21N3O/c1-14-7-6-8-17(13-14)23(27)26-25-22-18-9-4-5-10-20(18)24-21-16(3)15(2)11-12-19(21)22/h4-13H,1-3H3,(H,24,25)(H,26,27)
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Article
PubMed
n/an/a 9n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin D by FRET assay


Bioorg Med Chem Lett 18: 3011-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.060
BindingDB Entry DOI: 10.7270/Q2TT4RV5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%