BDBM50344444 3-amino-4-(4-(benzyloxy)-3-methoxyphenyl)-N-(5-chloro-2-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide::CHEMBL1780012
SMILES: COc1ccc(Cl)cc1NC(=O)c1sc2nc(cc(-c3ccc(OCc4ccccc4)c(OC)c3)c2c1N)-c1ccccc1
InChI Key: InChIKey=CZTBWPVEKYFNNC-UHFFFAOYSA-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) | BDBM50344444 (3-amino-4-(4-(benzyloxy)-3-methoxyphenyl)-N-(5-chl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | 1.60E+3 | 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) | BDBM50344444 (3-amino-4-(4-(benzyloxy)-3-methoxyphenyl)-N-(5-chl...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.30E+3 | 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 |