BDBM50273728 (R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(2-hydroxymethylphenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::CHEMBL506609::KNI-10113

SMILES: CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1CO

InChI Key: InChIKey=XBWSFLDHKBAMBA-XPLSERNMSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50273728   

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)	BDBM50273728 ((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...) Show SMILES CC1(C)SCN([C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1CO |r| Show InChI InChI=1S/C34H39N3O7S/c1-34(2)31(32(42)36-29-24-14-8-6-12-22(24)17-26(29)39)37(20-45-34)33(43)30(41)25(16-21-10-4-3-5-11-21)35-28(40)19-44-27-15-9-7-13-23(27)18-38/h3-15,25-26,29-31,38-39,41H,16-20H2,1-2H3,(H,35,40)(H,36,42)/t25-,26+,29-,30-,31+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	132	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 16: 10049-60 (2008) Article DOI: 10.1016/j.bmc.2008.10.011 BindingDB Entry DOI: 10.7270/Q2G160PJ
					More data for this Ligand-Target Pair