BDBM50323472 (R)-3-((2S,3S)-3-(2-(4-((2-aminoethyl)(ethyl)amino)-2,6-dimethylphenoxy)acetamido)-2-hydroxy-4-phenylbutanoyl)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylthiazolidine-4-carboxamide::CHEMBL1209499::KNI-10742
SMILES: CCN(CCN)c1cc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)c(C)c1
InChI Key: InChIKey=QVEVEYWLPLMZQY-SQKWSBCUSA-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 |
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Plasmepsin II (Plasmodium falciparum) | BDBM50323472 ((R)-3-((2S,3S)-3-(2-(4-((2-aminoethyl)(ethyl)amino...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 | Bioorg Med Chem Lett 20: 4836-9 (2010) Article DOI: 10.1016/j.bmcl.2010.06.099 BindingDB Entry DOI: 10.7270/Q2F18ZXQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |