BDBM8018 (3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[(2S,3S)-3-methyl-2-[1-(naphthalen-2-yl)acetamido]pentanamido]heptanamide::(S)-3-(S)-Hydroxy-6-methyl-4-[(S)-3-methyl-2-(2-naphthalen-2-yl-acetylamino)-pentanoylamino]-heptanoic acid butylamide::3-Hydroxy-6-methyl-4-[3-methyl-2-(2-naphthalen-2-yl-acetylamino)-pentanoylamino]-heptanoic acid butylamide::CHEMBL115048::hydroxyethylamine-based inhibitor 2
SMILES: CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(C)CC
InChI Key: InChIKey=YHTKRGDAFFBWEU-BGRUSPQTSA-N
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) | BDBM8018 ((3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[(2S,3S)-3-me...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 47: 110-22 (2004) Article DOI: 10.1021/jm030933g BindingDB Entry DOI: 10.7270/Q2RV0KX6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM8018 ((3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[(2S,3S)-3-me...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 47: 110-22 (2004) Article DOI: 10.1021/jm030933g BindingDB Entry DOI: 10.7270/Q2RV0KX6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM8018 ((3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[(2S,3S)-3-me...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibitory concentration for Plasmodium falciparum plasmepsin-2 . | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM8018 ((3S,4S)-N-butyl-3-hydroxy-6-methyl-4-[(2S,3S)-3-me...) | 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 | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibitory concentration against Human cathepsin D | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair |