BDBM50507809 CHEMBL4454828
SMILES: COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)N(CC(C)C)CC(C)C)N1CCCCC1
InChI Key: InChIKey=WHGNYYBBVBYAKI-QPPIDDCLSA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasmepsin 4 (PM-IV) (Plasmodium falciparum) | BDBM50507809 (CHEMBL4454828) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 500 | 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... | Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50507809 (CHEMBL4454828) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.30E+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 human cathepsin D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins followed by substrate additi... | Eur J Med Chem 163: 344-352 (2019) Article DOI: 10.1016/j.ejmech.2018.11.068 | |||||||||||
More data for this Ligand-Target Pair |