BDBM7979 (3S,4S)-5-[(4-bromophenyl)methoxy]-N-(cyclohexylmethyl)-3-hydroxy-4-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]pentanamide::Statine-like inhibitor 18
SMILES: CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](COCc1ccc(Br)cc1)[C@@H](O)CC(=O)NCC1CCCCC1
InChI Key: InChIKey=YTTGAYVPYPQRFA-NSVAZKTRSA-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) | BDBM7979 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-(cyclohexylme...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.90 | 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 | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM7979 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-(cyclohexylme...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 41 | -9.97 | 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 (docked) | ||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM7979 ((3S,4S)-5-[(4-bromophenyl)methoxy]-N-(cyclohexylme...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 586 | 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 |