BDBM7977 (3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}ethyl]-3-hydroxy-4-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]pentanamide::CHEMBL112598::Pyridine-2-carboxylic Acid ((S)-1-{(1S,2S)-1-(4-Bromobenzyloxymethyl)3-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)ethylcarbamoyl]-2-hydroxypropylcarbamoyl}-2-methylpropyl)amide::Statine-like inhibitor 16
SMILES: CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O
InChI Key: InChIKey=QXHNYZQKWOKULQ-QPGFMSSHSA-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 I (Plasmodium falciparum) | BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.5 | 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) | BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 0.5 | 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 | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.5 | 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 plasmepsin 2 | 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 | 3D Structure (crystal) | ||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 2.20 | -11.7 | 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 | 3D Structure (crystal) | ||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 2.20 | 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 | 3D Structure (crystal) | ||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 4.90 | 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)) | BDBM7977 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 4.90 | 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 |