Found 64 hits with Last Name = 'ruben' and Initial = 'aj' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Plasmepsin II
(Plasmodium falciparum) | BDBM50323472
((R)-3-((2S,3S)-3-(2-(4-((2-aminoethyl)(ethyl)amino...)Show SMILES CCN(CCN)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C39H51N5O6S/c1-6-43(17-16-40)28-18-24(2)35(25(3)19-28)50-22-32(46)41-30(20-26-12-8-7-9-13-26)34(47)38(49)44-23-51-39(4,5)36(44)37(48)42-33-29-15-11-10-14-27(29)21-31(33)45/h7-15,18-19,30-31,33-34,36,45,47H,6,16-17,20-23,40H2,1-5H3,(H,41,46)(H,42,48)/t30-,31+,33-,34-,36+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323469
((R)-3-((2S,3S)-3-(2-(4-((2-(dimethylamino)ethyl)(m...)Show SMILES CN(C)CCN(C)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C40H53N5O6S/c1-25-19-29(44(7)18-17-43(5)6)20-26(2)36(25)51-23-33(47)41-31(21-27-13-9-8-10-14-27)35(48)39(50)45-24-52-40(3,4)37(45)38(49)42-34-30-16-12-11-15-28(30)22-32(34)46/h8-16,19-20,31-32,34-35,37,46,48H,17-18,21-24H2,1-7H3,(H,41,47)(H,42,49)/t31-,32+,34-,35-,37+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209553
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES CSC[C@H](NC(=O)Cc1ccccc1C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H46N4O6S2/c1-23-12-8-9-15-25(23)20-31(44)39-29(21-49-4)35(46)40-28(18-24-13-6-5-7-14-24)33(45)37(48)42-22-50-38(2,3)34(42)36(47)41-32-27-17-11-10-16-26(27)19-30(32)43/h5-17,28-30,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t28-,29-,30+,32-,33-,34+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209559
((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209559
((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209559
((4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]am...)Show SMILES Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O6S/c1-21-11-10-12-22(2)31(21)44-19-28(40)36-26(17-23-13-6-5-7-14-23)30(41)34(43)38-20-45-35(3,4)32(38)33(42)37-29-25-16-9-8-15-24(25)18-27(29)39/h5-16,26-27,29-30,32,39,41H,17-20H2,1-4H3,(H,36,40)(H,37,42)/t26-,27+,29-,30-,32+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323470
((R)-3-((2S,3S)-3-(2-(4-(2-(ethylamino)ethylamino)-...)Show SMILES CCNCCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C39H51N5O6S/c1-6-40-16-17-41-28-18-24(2)35(25(3)19-28)50-22-32(46)42-30(20-26-12-8-7-9-13-26)34(47)38(49)44-23-51-39(4,5)36(44)37(48)43-33-29-15-11-10-14-27(29)21-31(33)45/h7-15,18-19,30-31,33-34,36,40-41,45,47H,6,16-17,20-23H2,1-5H3,(H,42,46)(H,43,48)/t30-,31+,33-,34-,36+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323468
((R)-3-((2S,3S)-3-(2-(2,6-dimethyl-4-(methyl(2-(met...)Show SMILES CNCCN(C)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C39H51N5O6S/c1-24-18-28(43(6)17-16-40-5)19-25(2)35(24)50-22-32(46)41-30(20-26-12-8-7-9-13-26)34(47)38(49)44-23-51-39(3,4)36(44)37(48)42-33-29-15-11-10-14-27(29)21-31(33)45/h7-15,18-19,30-31,33-34,36,40,45,47H,16-17,20-23H2,1-6H3,(H,41,46)(H,42,48)/t30-,31+,33-,34-,36+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209552
((4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-y...)Show SMILES CSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C40H45N5O7S2/c1-40(2)36(38(50)44-34-28-14-8-7-12-25(28)19-31(34)46)45(23-54-40)39(51)35(48)29(18-24-10-5-4-6-11-24)43-37(49)30(22-53-3)42-33(47)21-52-32-15-9-13-26-20-41-17-16-27(26)32/h4-17,20,29-31,34-36,46,48H,18-19,21-23H2,1-3H3,(H,42,47)(H,43,49)(H,44,50)/t29-,30-,31+,34-,35-,36+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209554
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES CSC[C@H](NC(=O)Cc1cccc(O)c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H44N4O7S2/c1-37(2)33(35(47)40-31-26-15-8-7-13-24(26)19-29(31)43)41(21-50-37)36(48)32(45)27(17-22-10-5-4-6-11-22)39-34(46)28(20-49-3)38-30(44)18-23-12-9-14-25(42)16-23/h4-16,27-29,31-33,42-43,45H,17-21H2,1-3H3,(H,38,44)(H,39,46)(H,40,47)/t27-,28-,29+,31-,32-,33+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273723
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES COc1cccc(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1 |r| Show InChI InChI=1S/C34H39N3O7S/c1-34(2)31(32(41)36-29-25-15-8-7-12-22(25)17-27(29)38)37(20-45-34)33(42)30(40)26(16-21-10-5-4-6-11-21)35-28(39)19-44-24-14-9-13-23(18-24)43-3/h4-15,18,26-27,29-31,38,40H,16-17,19-20H2,1-3H3,(H,35,39)(H,36,41)/t26-,27+,29-,30-,31+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209565
((R)-3-((2S,3S)-3-((R)-2-(2-(2-aminophenyl)acetamid...)Show SMILES CSC[C@H](NC(=O)Cc1ccccc1N)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H45N5O6S2/c1-37(2)33(35(47)41-31-25-15-9-7-13-23(25)18-29(31)43)42(21-50-37)36(48)32(45)27(17-22-11-5-4-6-12-22)40-34(46)28(20-49-3)39-30(44)19-24-14-8-10-16-26(24)38/h4-16,27-29,31-33,43,45H,17-21,38H2,1-3H3,(H,39,44)(H,40,46)(H,41,47)/t27-,28-,29+,31-,32-,33+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209563
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES COc1ccc(CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C38H46N4O7S2/c1-38(2)34(36(47)41-32-27-13-9-8-12-25(27)20-30(32)43)42(22-51-38)37(48)33(45)28(18-23-10-6-5-7-11-23)40-35(46)29(21-50-4)39-31(44)19-24-14-16-26(49-3)17-15-24/h5-17,28-30,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t28-,29-,30+,32-,33-,34+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323473
((R)-3-((2S,3S)-3-(2-(4-(ethyl(2-(ethylamino)ethyl)...)Show SMILES CCNCCN(CC)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C41H55N5O6S/c1-7-42-18-19-45(8-2)30-20-26(3)37(27(4)21-30)52-24-34(48)43-32(22-28-14-10-9-11-15-28)36(49)40(51)46-25-53-41(5,6)38(46)39(50)44-35-31-17-13-12-16-29(31)23-33(35)47/h9-17,20-21,32-33,35-36,38,42,47,49H,7-8,18-19,22-25H2,1-6H3,(H,43,48)(H,44,50)/t32-,33+,35-,36-,38+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273742
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES Cc1cc(O)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H41N3O7S/c1-20-14-24(39)15-21(2)31(20)45-18-28(41)36-26(16-22-10-6-5-7-11-22)30(42)34(44)38-19-46-35(3,4)32(38)33(43)37-29-25-13-9-8-12-23(25)17-27(29)40/h5-15,26-27,29-30,32,39-40,42H,16-19H2,1-4H3,(H,36,41)(H,37,43)/t26-,27+,29-,30-,32+/m0/s1 | PDB
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PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209562
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES CSC[C@H](NC(=O)Cc1ccc(C)cc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H46N4O6S2/c1-23-14-16-25(17-15-23)19-31(44)39-29(21-49-4)35(46)40-28(18-24-10-6-5-7-11-24)33(45)37(48)42-22-50-38(2,3)34(42)36(47)41-32-27-13-9-8-12-26(27)20-30(32)43/h5-17,28-30,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t28-,29-,30+,32-,33-,34+/m0/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209555
(CHEMBL394358 | cyclohexyl (R)-1-((2S,3S)-4-((R)-4-...)Show SMILES CSC[C@H](NC(=O)OC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C36H48N4O7S2/c1-36(2)31(33(44)39-29-25-17-11-10-14-23(25)19-28(29)41)40(21-49-36)34(45)30(42)26(18-22-12-6-4-7-13-22)37-32(43)27(20-48-3)38-35(46)47-24-15-8-5-9-16-24/h4,6-7,10-14,17,24,26-31,41-42H,5,8-9,15-16,18-21H2,1-3H3,(H,37,43)(H,38,46)(H,39,44)/t26-,27-,28+,29-,30-,31+/m0/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323471
((R)-3-((2S,3S)-3-(2-(4-(2-(diethylamino)ethylamino...)Show SMILES CCN(CC)CCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C41H55N5O6S/c1-7-45(8-2)19-18-42-30-20-26(3)37(27(4)21-30)52-24-34(48)43-32(22-28-14-10-9-11-15-28)36(49)40(51)46-25-53-41(5,6)38(46)39(50)44-35-31-17-13-12-16-29(31)23-33(35)47/h9-17,20-21,32-33,35-36,38,42,47,49H,7-8,18-19,22-25H2,1-6H3,(H,43,48)(H,44,50)/t32-,33+,35-,36-,38+/m0/s1 | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273751
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES Cc1cc(NCc2ccncc2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C41H47N5O6S/c1-25-18-30(43-22-28-14-16-42-17-15-28)19-26(2)37(25)52-23-34(48)44-32(20-27-10-6-5-7-11-27)36(49)40(51)46-24-53-41(3,4)38(46)39(50)45-35-31-13-9-8-12-29(31)21-33(35)47/h5-19,32-33,35-36,38,43,47,49H,20-24H2,1-4H3,(H,44,48)(H,45,50)/t32-,33+,35-,36-,38+/m0/s1 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323464
((R)-3-((2S,3S)-3-(2-(4-(2-aminoethylamino)-2,6-dim...)Show SMILES Cc1cc(NCCN)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C37H47N5O6S/c1-22-16-26(39-15-14-38)17-23(2)33(22)48-20-30(44)40-28(18-24-10-6-5-7-11-24)32(45)36(47)42-21-49-37(3,4)34(42)35(46)41-31-27-13-9-8-12-25(27)19-29(31)43/h5-13,16-17,28-29,31-32,34,39,43,45H,14-15,18-21,38H2,1-4H3,(H,40,44)(H,41,46)/t28-,29+,31-,32-,34+/m0/s1 | PDB
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PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273746
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C37H46N4O6S/c1-6-38-26-16-22(2)33(23(3)17-26)47-20-30(43)39-28(18-24-12-8-7-9-13-24)32(44)36(46)41-21-48-37(4,5)34(41)35(45)40-31-27-15-11-10-14-25(27)19-29(31)42/h7-17,28-29,31-32,34,38,42,44H,6,18-21H2,1-5H3,(H,39,43)(H,40,45)/t28-,29+,31-,32-,34+/m0/s1 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323467
((R)-3-((2S,3S)-3-(2-(4-((2-aminoethyl)(methyl)amin...)Show SMILES CN(CCN)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C38H49N5O6S/c1-23-17-27(42(5)16-15-39)18-24(2)34(23)49-21-31(45)40-29(19-25-11-7-6-8-12-25)33(46)37(48)43-22-50-38(3,4)35(43)36(47)41-32-28-14-10-9-13-26(28)20-30(32)44/h6-14,17-18,29-30,32-33,35,44,46H,15-16,19-22,39H2,1-5H3,(H,40,45)(H,41,47)/t29-,30+,32-,33-,35+/m0/s1 | PDB
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PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209556
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES COc1ccccc1CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H46N4O7S2/c1-38(2)34(36(47)41-32-26-16-10-8-14-24(26)19-29(32)43)42(22-51-38)37(48)33(45)27(18-23-12-6-5-7-13-23)40-35(46)28(21-50-4)39-31(44)20-25-15-9-11-17-30(25)49-3/h5-17,27-29,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t27-,28-,29+,32-,33-,34+/m0/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209566
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES CSC[C@H](NC(=O)c1cc(=O)c2ccccc2o1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C39H42N4O8S2/c1-39(2)34(37(49)42-32-24-14-8-7-13-23(24)18-29(32)45)43(21-53-39)38(50)33(46)26(17-22-11-5-4-6-12-22)40-35(47)27(20-52-3)41-36(48)31-19-28(44)25-15-9-10-16-30(25)51-31/h4-16,19,26-27,29,32-34,45-46H,17-18,20-21H2,1-3H3,(H,40,47)(H,41,48)(H,42,49)/t26-,27-,29+,32-,33-,34+/m0/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273729
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(CO)c1 |r| Show InChI InChI=1S/C34H39N3O7S/c1-34(2)31(32(42)36-29-25-14-7-6-12-23(25)17-27(29)39)37(20-45-34)33(43)30(41)26(16-21-9-4-3-5-10-21)35-28(40)19-44-24-13-8-11-22(15-24)18-38/h3-15,26-27,29-31,38-39,41H,16-20H2,1-2H3,(H,35,40)(H,36,42)/t26-,27+,29-,30-,31+/m0/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323465
((R)-3-((2S,3S)-3-(2-(2,6-dimethyl-4-(2-(methylamin...)Show SMILES CNCCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C38H49N5O6S/c1-23-17-27(40-16-15-39-5)18-24(2)34(23)49-21-31(45)41-29(19-25-11-7-6-8-12-25)33(46)37(48)43-22-50-38(3,4)35(43)36(47)42-32-28-14-10-9-13-26(28)20-30(32)44/h6-14,17-18,29-30,32-33,35,39-40,44,46H,15-16,19-22H2,1-5H3,(H,41,45)(H,42,47)/t29-,30+,32-,33-,35+/m0/s1 | PDB
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UniChem
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| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273727
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H37N3O7S/c1-33(2)30(31(41)35-28-24-11-7-6-10-21(24)17-26(28)38)36(19-44-33)32(42)29(40)25(16-20-8-4-3-5-9-20)34-27(39)18-43-23-14-12-22(37)13-15-23/h3-15,25-26,28-30,37-38,40H,16-19H2,1-2H3,(H,34,39)(H,35,41)/t25-,26+,28-,29-,30+/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273726
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(O)c1 |r| Show InChI InChI=1S/C33H37N3O7S/c1-33(2)30(31(41)35-28-24-14-7-6-11-21(24)16-26(28)38)36(19-44-33)32(42)29(40)25(15-20-9-4-3-5-10-20)34-27(39)18-43-23-13-8-12-22(37)17-23/h3-14,17,25-26,28-30,37-38,40H,15-16,18-19H2,1-2H3,(H,34,39)(H,35,41)/t25-,26+,28-,29-,30+/m0/s1 | PDB
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| CHEMBL
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UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323474
((R)-3-((2S,3S)-3-(2-(4-((2-(diethylamino)ethyl)(et...)Show SMILES CCN(CC)CCN(CC)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C43H59N5O6S/c1-8-46(9-2)20-21-47(10-3)32-22-28(4)39(29(5)23-32)54-26-36(50)44-34(24-30-16-12-11-13-17-30)38(51)42(53)48-27-55-43(6,7)40(48)41(52)45-37-33-19-15-14-18-31(33)25-35(37)49/h11-19,22-23,34-35,37-38,40,49,51H,8-10,20-21,24-27H2,1-7H3,(H,44,50)(H,45,52)/t34-,35+,37-,38-,40+/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273749
((R)-3-((2S,3S)-3-(2-(2,6-dimethyl-4-(pyridin-2-ylm...)Show SMILES Cc1cc(NCc2ccccn2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C41H47N5O6S/c1-25-18-30(43-22-29-15-10-11-17-42-29)19-26(2)37(25)52-23-34(48)44-32(20-27-12-6-5-7-13-27)36(49)40(51)46-24-53-41(3,4)38(46)39(50)45-35-31-16-9-8-14-28(31)21-33(35)47/h5-19,32-33,35-36,38,43,47,49H,20-24H2,1-4H3,(H,44,48)(H,45,50)/t32-,33+,35-,36-,38+/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273749
((R)-3-((2S,3S)-3-(2-(2,6-dimethyl-4-(pyridin-2-ylm...)Show SMILES Cc1cc(NCc2ccccn2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C41H47N5O6S/c1-25-18-30(43-22-29-15-10-11-17-42-29)19-26(2)37(25)52-23-34(48)44-32(20-27-12-6-5-7-13-27)36(49)40(51)46-24-53-41(3,4)38(46)39(50)45-35-31-16-9-8-14-28(31)21-33(35)47/h5-19,32-33,35-36,38,43,47,49H,20-24H2,1-4H3,(H,44,48)(H,45,50)/t32-,33+,35-,36-,38+/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273730
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(CO)cc1 |r| Show InChI InChI=1S/C34H39N3O7S/c1-34(2)31(32(42)36-29-25-11-7-6-10-23(25)17-27(29)39)37(20-45-34)33(43)30(41)26(16-21-8-4-3-5-9-21)35-28(40)19-44-24-14-12-22(18-38)13-15-24/h3-15,26-27,29-31,38-39,41H,16-20H2,1-2H3,(H,35,40)(H,36,42)/t26-,27+,29-,30-,31+/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209560
((R)-3-((2S,3S)-3-((R)-2-(2-(3-aminophenyl)acetamid...)Show SMILES CSC[C@H](NC(=O)Cc1cccc(N)c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H45N5O6S2/c1-37(2)33(35(47)41-31-26-15-8-7-13-24(26)19-29(31)43)42(21-50-37)36(48)32(45)27(17-22-10-5-4-6-11-22)40-34(46)28(20-49-3)39-30(44)18-23-12-9-14-25(38)16-23/h4-16,27-29,31-33,43,45H,17-21,38H2,1-3H3,(H,39,44)(H,40,46)(H,41,47)/t27-,28-,29+,31-,32-,33+/m0/s1 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273737
((4R)-3-[(2S,3S)-3-{[(2,6-difluorophenoxy)acetyl]am...)Show SMILES CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(F)cccc1F |r| Show InChI InChI=1S/C33H35F2N3O6S/c1-33(2)30(31(42)37-27-21-12-7-6-11-20(21)16-25(27)39)38(18-45-33)32(43)28(41)24(15-19-9-4-3-5-10-19)36-26(40)17-44-29-22(34)13-8-14-23(29)35/h3-14,24-25,27-28,30,39,41H,15-18H2,1-2H3,(H,36,40)(H,37,42)/t24-,25+,27-,28-,30+/m0/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209557
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES CSC[C@H](NC(=O)COc1cccc(Nc2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C43H49N5O7S2/c1-43(2)39(41(53)47-37-32-20-11-10-15-28(32)22-35(37)49)48(26-57-43)42(54)38(51)33(21-27-13-6-4-7-14-27)46-40(52)34(25-56-3)45-36(50)24-55-31-19-12-18-30(23-31)44-29-16-8-5-9-17-29/h4-20,23,33-35,37-39,44,49,51H,21-22,24-26H2,1-3H3,(H,45,50)(H,46,52)(H,47,53)/t33-,34-,35+,37-,38-,39+/m0/s1 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209561
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES CSC[C@H](NC(=O)Cc1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H44N4O7S2/c1-37(2)33(35(47)40-31-25-15-9-7-13-23(25)18-29(31)43)41(21-50-37)36(48)32(45)26(17-22-11-5-4-6-12-22)39-34(46)27(20-49-3)38-30(44)19-24-14-8-10-16-28(24)42/h4-16,26-27,29,31-33,42-43,45H,17-21H2,1-3H3,(H,38,44)(H,39,46)(H,40,47)/t26-,27-,29+,31-,32-,33+/m0/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209558
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES COc1cccc(CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c1 Show InChI InChI=1S/C38H46N4O7S2/c1-38(2)34(36(47)41-32-27-16-9-8-14-25(27)20-30(32)43)42(22-51-38)37(48)33(45)28(18-23-11-6-5-7-12-23)40-35(46)29(21-50-4)39-31(44)19-24-13-10-15-26(17-24)49-3/h5-17,28-30,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t28-,29-,30+,32-,33-,34+/m0/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50323466
((R)-3-((2S,3S)-3-(2-(4-(2-(dimethylamino)ethylamin...)Show SMILES CN(C)CCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C39H51N5O6S/c1-24-18-28(40-16-17-43(5)6)19-25(2)35(24)50-22-32(46)41-30(20-26-12-8-7-9-13-26)34(47)38(49)44-23-51-39(3,4)36(44)37(48)42-33-29-15-11-10-14-27(29)21-31(33)45/h7-15,18-19,30-31,33-34,36,40,45,47H,16-17,20-23H2,1-6H3,(H,41,46)(H,42,48)/t30-,31+,33-,34-,36+/m0/s1 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 20: 4836-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.099
BindingDB Entry DOI: 10.7270/Q2F18ZXQ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50209564
((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...)Show SMILES CSC[C@H](NC(=O)Cc1cccc(C)c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C38H46N4O6S2/c1-23-11-10-14-25(17-23)19-31(44)39-29(21-49-4)35(46)40-28(18-24-12-6-5-7-13-24)33(45)37(48)42-22-50-38(2,3)34(42)36(47)41-32-27-16-9-8-15-26(27)20-30(32)43/h5-17,28-30,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t28-,29-,30+,32-,33-,34+/m0/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem Lett 17: 3048-52 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.052
BindingDB Entry DOI: 10.7270/Q2J102VZ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273741
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES Cc1cc(F)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H40FN3O6S/c1-20-14-24(36)15-21(2)31(20)45-18-28(41)37-26(16-22-10-6-5-7-11-22)30(42)34(44)39-19-46-35(3,4)32(39)33(43)38-29-25-13-9-8-12-23(25)17-27(29)40/h5-15,26-27,29-30,32,40,42H,16-19H2,1-4H3,(H,37,41)(H,38,43)/t26-,27+,29-,30-,32+/m0/s1 | PDB
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| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273750
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES Cc1cc(NCc2cccnc2)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C41H47N5O6S/c1-25-17-30(43-22-28-13-10-16-42-21-28)18-26(2)37(25)52-23-34(48)44-32(19-27-11-6-5-7-12-27)36(49)40(51)46-24-53-41(3,4)38(46)39(50)45-35-31-15-9-8-14-29(31)20-33(35)47/h5-18,21,32-33,35-36,38,43,47,49H,19-20,22-24H2,1-4H3,(H,44,48)(H,45,50)/t32-,33+,35-,36-,38+/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273745
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CN(C)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C37H46N4O6S/c1-22-16-26(40(5)6)17-23(2)33(22)47-20-30(43)38-28(18-24-12-8-7-9-13-24)32(44)36(46)41-21-48-37(3,4)34(41)35(45)39-31-27-15-11-10-14-25(27)19-29(31)42/h7-17,28-29,31-32,34,42,44H,18-21H2,1-6H3,(H,38,43)(H,39,45)/t28-,29+,31-,32-,34+/m0/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273743
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES Cc1cc(N)cc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C35H42N4O6S/c1-20-14-24(36)15-21(2)31(20)45-18-28(41)37-26(16-22-10-6-5-7-11-22)30(42)34(44)39-19-46-35(3,4)32(39)33(43)38-29-25-13-9-8-12-23(25)17-27(29)40/h5-15,26-27,29-30,32,40,42H,16-19,36H2,1-4H3,(H,37,41)(H,38,43)/t26-,27+,29-,30-,32+/m0/s1 | PDB
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PC sid
UniChem
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| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273740
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CC(C)c1cccc(C(C)C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C39H49N3O6S/c1-23(2)27-17-12-18-28(24(3)4)35(27)48-21-32(44)40-30(19-25-13-8-7-9-14-25)34(45)38(47)42-22-49-39(5,6)36(42)37(46)41-33-29-16-11-10-15-26(29)20-31(33)43/h7-18,23-24,30-31,33-34,36,43,45H,19-22H2,1-6H3,(H,40,44)(H,41,46)/t30-,31+,33-,34-,36+/m0/s1 | PDB
MMDB
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PC sid
UniChem
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| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273736
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(cc1)[N+]([O-])=O |r| Show InChI InChI=1S/C33H36N4O8S/c1-33(2)30(31(41)35-28-24-11-7-6-10-21(24)17-26(28)38)36(19-46-33)32(42)29(40)25(16-20-8-4-3-5-9-20)34-27(39)18-45-23-14-12-22(13-15-23)37(43)44/h3-15,25-26,28-30,38,40H,16-19H2,1-2H3,(H,34,39)(H,35,41)/t25-,26+,28-,29-,30+/m0/s1 | PDB
MMDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273744
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C36H44N4O6S/c1-21-15-25(37-5)16-22(2)32(21)46-19-29(42)38-27(17-23-11-7-6-8-12-23)31(43)35(45)40-20-47-36(3,4)33(40)34(44)39-30-26-14-10-9-13-24(26)18-28(30)41/h6-16,27-28,30-31,33,37,41,43H,17-20H2,1-5H3,(H,38,42)(H,39,44)/t27-,28+,30-,31-,33+/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273748
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CCCCCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C40H52N4O6S/c1-6-7-13-18-41-29-19-25(2)36(26(3)20-29)50-23-33(46)42-31(21-27-14-9-8-10-15-27)35(47)39(49)44-24-51-40(4,5)37(44)38(48)43-34-30-17-12-11-16-28(30)22-32(34)45/h8-12,14-17,19-20,31-32,34-35,37,41,45,47H,6-7,13,18,21-24H2,1-5H3,(H,42,46)(H,43,48)/t31-,32+,34-,35-,37+/m0/s1 | PDB
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| CHEMBL
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UniChem
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PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273733
((R)-N-[(1S,2R)-2-Hhydroxyindan-1-yl]-3-[(2S,3S)-3-...)Show SMILES CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(N)cc1 |r| Show InChI InChI=1S/C33H38N4O6S/c1-33(2)30(31(41)36-28-24-11-7-6-10-21(24)17-26(28)38)37(19-44-33)32(42)29(40)25(16-20-8-4-3-5-9-20)35-27(39)18-43-23-14-12-22(34)13-15-23/h3-15,25-26,28-30,38,40H,16-19,34H2,1-2H3,(H,35,39)(H,36,41)/t25-,26+,28-,29-,30+/m0/s1 | PDB
MMDB
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| CHEMBL
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PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273732
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1cccc(N)c1 |r| Show InChI InChI=1S/C33H38N4O6S/c1-33(2)30(31(41)36-28-24-14-7-6-11-21(24)16-26(28)38)37(19-44-33)32(42)29(40)25(15-20-9-4-3-5-10-20)35-27(39)18-43-23-13-8-12-22(34)17-23/h3-14,17,25-26,28-30,38,40H,15-16,18-19,34H2,1-2H3,(H,35,39)(H,36,41)/t25-,26+,28-,29-,30+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50273747
((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...)Show SMILES CCCCNc1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1 |r| Show InChI InChI=1S/C39H50N4O6S/c1-6-7-17-40-28-18-24(2)35(25(3)19-28)49-22-32(45)41-30(20-26-13-9-8-10-14-26)34(46)38(48)43-23-50-39(4,5)36(43)37(47)42-33-29-16-12-11-15-27(29)21-31(33)44/h8-16,18-19,30-31,33-34,36,40,44,46H,6-7,17,20-23H2,1-5H3,(H,41,45)(H,42,47)/t30-,31+,33-,34-,36+/m0/s1 | PDB
MMDB
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UniProtKB/SwissProt
B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 2 |
Bioorg Med Chem 16: 10049-60 (2008)
Article DOI: 10.1016/j.bmc.2008.10.011
BindingDB Entry DOI: 10.7270/Q2G160PJ |
More data for this
Ligand-Target Pair | |
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