BDBM7974 (3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}ethyl]-3-hydroxy-4-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]-5-phenylpentanamide::CHEMBL113208::Statine-like inhibitor A
SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
InChI Key: InChIKey=DYBGOWFLTWBIJD-HNRCJHGASA-N
PDB links: 7 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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) | BDBM7974![]() ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.560 | -12.5 | n/a | n/a | n/a | n/a | n/a | 4.5 | 22 |
Linkoping 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: 3353-66 (2004) Article DOI: 10.1021/jm031106i BindingDB Entry DOI: 10.7270/Q2WM1BMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM7974![]() ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin II of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM7974![]() ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wayne State University Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum recombinant plasmepsin 2 expressed in Escherichia coli BL21 (DE3) | J Med Chem 53: 4234-47 (2010) Article DOI: 10.1021/jm100233b BindingDB Entry DOI: 10.7270/Q22807RR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM7974![]() ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the Plasmepsin I of Plasmodium falciparum | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM7974![]() ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linkoping 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: 3353-66 (2004) Article DOI: 10.1021/jm031106i BindingDB Entry DOI: 10.7270/Q2WM1BMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM7974![]() ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linköping University Curated by ChEMBL | Assay Description Inhibitory concentration against the human Cathepsin D | J Med Chem 48: 4400-9 (2005) Article DOI: 10.1021/jm040884n BindingDB Entry DOI: 10.7270/Q2R78DRQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM7974![]() ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Linkoping 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: 3353-66 (2004) Article DOI: 10.1021/jm031106i BindingDB Entry DOI: 10.7270/Q2WM1BMG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM7974![]() ((3S,4S)-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl...) | 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 | 21 | 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 |