Found 3 hits in this display 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 I
(Plasmodium falciparum) | BDBM50169102
(CHEMBL189976 | N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C35H39F3N4O8/c1-18(2)10-26(33(39)45)41-34(46)19(3)40-31(44)14-28(43)27(42-35(47)32-24(37)12-23(36)13-25(32)38)16-48-15-20-4-6-21(7-5-20)22-8-9-29-30(11-22)50-17-49-29/h4-9,11-13,18-19,26-28,43H,10,14-17H2,1-3H3,(H2,39,45)(H,40,44)(H,41,46)(H,42,47)/t19-,26-,27-,28-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University
Curated by ChEMBL
| Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum |
J Med Chem 48: 4400-9 (2005)
Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ |
More data for this Ligand-Target Pair | |
Plasmepsin II
(Plasmodium falciparum) | BDBM50169102
(CHEMBL189976 | N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C35H39F3N4O8/c1-18(2)10-26(33(39)45)41-34(46)19(3)40-31(44)14-28(43)27(42-35(47)32-24(37)12-23(36)13-25(32)38)16-48-15-20-4-6-21(7-5-20)22-8-9-29-30(11-22)50-17-49-29/h4-9,11-13,18-19,26-28,43H,10,14-17H2,1-3H3,(H2,39,45)(H,40,44)(H,41,46)(H,42,47)/t19-,26-,27-,28-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University
Curated by ChEMBL
| Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum |
J Med Chem 48: 4400-9 (2005)
Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ |
More data for this Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50169102
(CHEMBL189976 | N-{(1S,2S)-1-(4-Benzo[1,3]dioxol-5-...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(cc1)-c1ccc2OCOc2c1)NC(=O)c1c(F)cc(F)cc1F)C(N)=O Show InChI InChI=1S/C35H39F3N4O8/c1-18(2)10-26(33(39)45)41-34(46)19(3)40-31(44)14-28(43)27(42-35(47)32-24(37)12-23(36)13-25(32)38)16-48-15-20-4-6-21(7-5-20)22-8-9-29-30(11-22)50-17-49-29/h4-9,11-13,18-19,26-28,43H,10,14-17H2,1-3H3,(H2,39,45)(H,40,44)(H,41,46)(H,42,47)/t19-,26-,27-,28-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University
Curated by ChEMBL
| Assay Description Inhibitory concentration against the human Cathepsin D |
J Med Chem 48: 4400-9 (2005)
Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ |
More data for this Ligand-Target Pair | |