BDBM50299000 (B)-(4R)-3-(2-Benzyl-3-(2-(2,6-dimethylphenoxy)acetamido)-2-hydroxypropanoyl)-N-((1S,2R)-2-hydroxy-1-indanyl)-5,5-dimethylthiazolidine-4-carboxamide::CHEMBL584192
SMILES: Cc1cccc(C)c1OCC(=O)NC[C@](O)(Cc1ccccc1)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
InChI Key: InChIKey=PZCSYTKHAKPNOQ-RVFPNTRESA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aspartic protease PM4 (Plasmodium vivax) | BDBM50299000 ((B)-(4R)-3-(2-Benzyl-3-(2-(2,6-dimethylphenoxy)ace...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of Plasmodium vivax plasmepsin 4 expressed in Escherichia coli BL21 (DE3) by fluorometric assay | Bioorg Med Chem 17: 5933-49 (2009) Article DOI: 10.1016/j.bmc.2009.06.065 BindingDB Entry DOI: 10.7270/Q2S46S0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50299000 ((B)-(4R)-3-(2-Benzyl-3-(2-(2,6-dimethylphenoxy)ace...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 expressed in Escherichia coli BL21 (DE3) by fluorometric assay | Bioorg Med Chem 17: 5933-49 (2009) Article DOI: 10.1016/j.bmc.2009.06.065 BindingDB Entry DOI: 10.7270/Q2S46S0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50299000 ((B)-(4R)-3-(2-Benzyl-3-(2-(2,6-dimethylphenoxy)ace...) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition of human liver cathepsin D | Bioorg Med Chem 17: 5933-49 (2009) Article DOI: 10.1016/j.bmc.2009.06.065 BindingDB Entry DOI: 10.7270/Q2S46S0X | |||||||||||
More data for this Ligand-Target Pair |