Found 4 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 II
(Plasmodium falciparum) | BDBM50461472
(CHEMBL4227074)Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin-2 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by... |
Bioorg Med Chem 26: 2488-2500 (2018)
Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH |
More data for this
Ligand-Target Pair | |
Plasmepsin IV [1-448]
(Plasmodium falciparum) | BDBM50461472
(CHEMBL4227074)Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin 4 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by... |
Bioorg Med Chem 26: 2488-2500 (2018)
Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH |
More data for this
Ligand-Target Pair | |
Plasmepsin I
(Plasmodium falciparum) | BDBM50461472
(CHEMBL4227074)Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of Plasmodium falciparum plasmepsin-1 using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by... |
Bioorg Med Chem 26: 2488-2500 (2018)
Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH |
More data for this
Ligand-Target Pair | |
Cathepsin D
(Homo sapiens (Human)) | BDBM50461472
(CHEMBL4227074)Show SMILES CCCCCc1ccc(cc1)-c1cc(-c2ccc(cc2)C(O)=O)c2c(c1)nc(N)n(CC1CCCO1)c2=O Show InChI InChI=1S/C31H33N3O4/c1-2-3-4-6-20-8-10-21(11-9-20)24-17-26(22-12-14-23(15-13-22)30(36)37)28-27(18-24)33-31(32)34(29(28)35)19-25-7-5-16-38-25/h8-15,17-18,25H,2-7,16,19H2,1H3,(H2,32,33)(H,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis
Curated by ChEMBL
| Assay Description
Inhibition of human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate additi... |
Bioorg Med Chem 26: 2488-2500 (2018)
Article DOI: 10.1016/j.bmc.2018.04.012
BindingDB Entry DOI: 10.7270/Q2X63QKH |
More data for this
Ligand-Target Pair | |