BDBM50344451 (S)-N5-(1-(1H-indol-3-yl)-2-(isopentylamino)-2-oxoethyl)-4-amino-N5-(benzo[d][1,3]dioxol-5-yl)isothiazole-3,5-dicarboxamide::CHEMBL1777836
SMILES: CC(C)CCNC(=O)[C@@H](N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCOc2c1)c1c[nH]c2ccccc12
InChI Key: InChIKey=QFSVUAKSILXEDB-QHCPKHFHSA-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 2 (Plasmodium falciparum) | BDBM50344451 ((S)-N5-(1-(1H-indol-3-yl)-2-(isopentylamino)-2-oxo...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay | Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50344451 ((S)-N5-(1-(1H-indol-3-yl)-2-(isopentylamino)-2-oxo...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 using DABCYL-Glu-Arg-Nle-Phe-Leu- Ser-Phe-Pro-EDANS fluorogenic substrate by fluorogenic assay | Bioorg Med Chem Lett 21: 3335-41 (2011) Article DOI: 10.1016/j.bmcl.2011.04.015 BindingDB Entry DOI: 10.7270/Q24J0FFK | |||||||||||
More data for this Ligand-Target Pair |