Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50044079 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) | BDBM50001073
(CHEMBL3236067)Show SMILES Cc1cc(NC(=O)CCCCN)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/C40H51N5O7S/c1-24-18-28(42-32(47)16-10-11-17-41)19-25(2)36(24)52-22-33(48)43-30(20-26-12-6-5-7-13-26)35(49)39(51)45-23-53-40(3,4)37(45)38(50)44-34-29-15-9-8-14-27(29)21-31(34)46/h5-9,12-15,18-19,30-31,34-35,37,46,49H,10-11,16-17,20-23,41H2,1-4H3,(H,42,47)(H,43,48)(H,44,50)/t30-,31+,34-,35-,37+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | 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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001072
(CHEMBL3236066)Show SMILES Cc1cc(NC(=O)CCCN)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/C39H49N5O7S/c1-23-17-27(41-31(46)15-10-16-40)18-24(2)35(23)51-21-32(47)42-29(19-25-11-6-5-7-12-25)34(48)38(50)44-22-52-39(3,4)36(44)37(49)43-33-28-14-9-8-13-26(28)20-30(33)45/h5-9,11-14,17-18,29-30,33-34,36,45,48H,10,15-16,19-22,40H2,1-4H3,(H,41,46)(H,42,47)(H,43,49)/t29-,30+,33-,34-,36+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | 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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001070
(CHEMBL3236064)Show SMILES Cc1cc(NC(=O)CN)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/C37H45N5O7S/c1-21-14-25(39-29(44)18-38)15-22(2)33(21)49-19-30(45)40-27(16-23-10-6-5-7-11-23)32(46)36(48)42-20-50-37(3,4)34(42)35(47)41-31-26-13-9-8-12-24(26)17-28(31)43/h5-15,27-28,31-32,34,43,46H,16-20,38H2,1-4H3,(H,39,44)(H,40,45)(H,41,47)/t27-,28+,31-,32-,34+/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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001069
(CHEMBL3236063)Show SMILES Cc1cc(NCc2ccnc3ccccc23)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/C45H49N5O6S/c1-27-20-32(47-24-31-18-19-46-35-17-11-10-15-33(31)35)21-28(2)41(27)56-25-38(52)48-36(22-29-12-6-5-7-13-29)40(53)44(55)50-26-57-45(3,4)42(50)43(54)49-39-34-16-9-8-14-30(34)23-37(39)51/h5-21,36-37,39-40,42,47,51,53H,22-26H2,1-4H3,(H,48,52)(H,49,54)/t36-,37+,39-,40-,42+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70 | 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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001071
(CHEMBL3236065)Show SMILES Cc1cc(NC(=O)CCN)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/C38H47N5O7S/c1-22-16-26(40-30(45)14-15-39)17-23(2)34(22)50-20-31(46)41-28(18-24-10-6-5-7-11-24)33(47)37(49)43-21-51-38(3,4)35(43)36(48)42-32-27-13-9-8-12-25(27)19-29(32)44/h5-13,16-17,28-29,32-33,35,44,47H,14-15,18-21,39H2,1-4H3,(H,40,45)(H,41,46)(H,42,48)/t28-,29+,32-,33-,35+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | 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 Lett 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001075
(CHEMBL3236069)Show SMILES Cc1cc(NC(=O)CN2CCOCC2)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/C41H51N5O8S/c1-25-18-29(42-33(48)22-45-14-16-53-17-15-45)19-26(2)37(25)54-23-34(49)43-31(20-27-10-6-5-7-11-27)36(50)40(52)46-24-55-41(3,4)38(46)39(51)44-35-30-13-9-8-12-28(30)21-32(35)47/h5-13,18-19,31-32,35-36,38,47,50H,14-17,20-24H2,1-4H3,(H,42,48)(H,43,49)(H,44,51)/t31-,32+,35-,36-,38+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.30 | 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 Lett 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001067
(CHEMBL3236061)Show SMILES Cc1cccc(CNc2cc(C)c(OCC(=O)N[C@@H](Cc3ccccc3)[C@H](O)C(=O)N3CSC(C)(C)[C@H]3C(=O)N[C@@H]3[C@H](O)Cc4ccccc34)c(C)c2)n1 |r| Show InChI InChI=1S/C42H49N5O6S/c1-25-18-31(43-22-30-16-11-12-27(3)44-30)19-26(2)38(25)53-23-35(49)45-33(20-28-13-7-6-8-14-28)37(50)41(52)47-24-54-42(4,5)39(47)40(51)46-36-32-17-10-9-15-29(32)21-34(36)48/h6-19,33-34,36-37,39,43,48,50H,20-24H2,1-5H3,(H,45,49)(H,46,51)/t33-,34+,36-,37-,39+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.40 | 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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001068
(CHEMBL3236062)Show SMILES Cc1cc(NCc2c[nH]cn2)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/C39H46N6O6S/c1-23-14-27(41-19-28-18-40-21-42-28)15-24(2)35(23)51-20-32(47)43-30(16-25-10-6-5-7-11-25)34(48)38(50)45-22-52-39(3,4)36(45)37(49)44-33-29-13-9-8-12-26(29)17-31(33)46/h5-15,18,21,30-31,33-34,36,41,46,48H,16-17,19-20,22H2,1-4H3,(H,40,42)(H,43,47)(H,44,49)/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
| 4.80 | 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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001064
(CHEMBL3236058)Show SMILES Cc1cc(NCCCl)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/C37H45ClN4O6S/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,14-15,18-21H2,1-4H3,(H,40,44)(H,41,46)/t28-,29+,31-,32-,34+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.5 | 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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001074
(CHEMBL3236068)Show SMILES Cc1cc(NC(=O)CCCCCN)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/C41H53N5O7S/c1-25-19-29(43-33(48)17-9-6-12-18-42)20-26(2)37(25)53-23-34(49)44-31(21-27-13-7-5-8-14-27)36(50)40(52)46-24-54-41(3,4)38(46)39(51)45-35-30-16-11-10-15-28(30)22-32(35)47/h5,7-8,10-11,13-16,19-20,31-32,35-36,38,47,50H,6,9,12,17-18,21-24,42H2,1-4H3,(H,43,48)(H,44,49)(H,45,51)/t31-,32+,35-,36-,38+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | 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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001065
(CHEMBL3236059)Show SMILES COC(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)OC |r| Show InChI InChI=1S/C39H50N4O8S/c1-23-16-27(40-20-32(49-5)50-6)17-24(2)35(23)51-21-31(45)41-29(18-25-12-8-7-9-13-25)34(46)38(48)43-22-52-39(3,4)36(43)37(47)42-33-28-15-11-10-14-26(28)19-30(33)44/h7-17,29-30,32-34,36,40,44,46H,18-22H2,1-6H3,(H,41,45)(H,42,47)/t29-,30+,33-,34-,36+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | 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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50001066
(CHEMBL3236060)Show SMILES CCOP(=O)(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)OCC |r| Show InChI InChI=1S/C41H55N4O9PS/c1-7-53-55(51,54-8-2)19-18-42-30-20-26(3)37(27(4)21-30)52-24-34(47)43-32(22-28-14-10-9-11-15-28)36(48)40(50)45-25-56-41(5,6)38(45)39(49)44-35-31-17-13-12-16-29(31)23-33(35)46/h9-17,20-21,32-33,35-36,38,42,46,48H,7-8,18-19,22-25H2,1-6H3,(H,43,47)(H,44,49)/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
| 22 | 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 24: 1698-701 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.051
BindingDB Entry DOI: 10.7270/Q27S7Q8N |
More data for this
Ligand-Target Pair | |
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