Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 720.8 BDBM50209561

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Plasmepsin II (Plasmodium falciparum)	BDBM50209561 ((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...) Show SMILES CSC[C@H](NC(=O)Cc1ccccc1O)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 Show InChI InChI=1S/C37H44N4O7S2/c1-37(2)33(35(47)40-31-25-15-9-7-13-23(25)18-29(31)43)41(21-50-37)36(48)32(45)26(17-22-11-5-4-6-12-22)39-34(46)27(20-49-3)38-30(44)19-24-14-8-10-16-28(24)42/h4-16,26-27,29,31-33,42-43,45H,17-21H2,1-3H3,(H,38,44)(H,39,46)(H,40,47)/t26-,27-,29+,31-,32-,33+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	16	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 17: 3048-52 (2007) Article DOI: 10.1016/j.bmcl.2007.03.052 BindingDB Entry DOI: 10.7270/Q2J102VZ
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