BDBM50071553 1-({(1S,2S)-1-[1-Benzyl-2-hydroxy-3-(3-phenyl-propylcarbamoyl)-propylcarbamoyl]-2-methyl-butylcarbamoyl}-methyl)-4-phenyl-piperidine-4-carboxylic acid amide::CHEMBL75554
SMILES: CC[C@H](C)[C@H](NC(=O)CN1CCC(CC1)(C(N)=O)c1ccccc1)C(=O)NC(Cc1ccccc1)C(O)CC(=O)NCCCc1ccccc1
InChI Key: InChIKey=VNQCCUAWMCKSAK-PHJIUYNJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasmepsin 2 (Plasmodium falciparum) | BDBM50071553 (1-({(1S,2S)-1-[1-Benzyl-2-hydroxy-3-(3-phenyl-prop...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 600 | 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 | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50071553 (1-({(1S,2S)-1-[1-Benzyl-2-hydroxy-3-(3-phenyl-prop...) | 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 | 3.90E+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 |