BDBM50071560 3-Hydroxy-6-methyl-4-{(S)-2-[2-(naphthalen-2-yloxy)-acetylamino]-3-phenyl-propionylamino}-heptanoic acid butylamide::CHEMBL75057
SMILES: CCCCNC(=O)CC(O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc2ccccc2c1
InChI Key: InChIKey=RTBOVRLHCZUQJC-GBYJYRDPSA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin D (Homo sapiens (Human)) | BDBM50071560 (3-Hydroxy-6-methyl-4-{(S)-2-[2-(naphthalen-2-yloxy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against cathepsin D | Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50071560 (3-Hydroxy-6-methyl-4-{(S)-2-[2-(naphthalen-2-yloxy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc. Curated by ChEMBL | Assay Description In vitro inhibition of plasmepsin-2 from Plasmodium falciparum. | Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9 | |||||||||||
More data for this Ligand-Target Pair |