BDBM50273734 (R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(2-nitrophenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::CHEMBL507473::KNI-10095

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)COc1ccccc1[N+]([O-])=O

InChI Key: InChIKey=NJMYSVGWPKMYBH-OIRZSGMBSA-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 = 50273734   

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)	BDBM50273734 ((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)COc1ccccc1[N+]([O-])=O |r| Show InChI InChI=1S/C33H36N4O8S/c1-33(2)30(31(41)35-28-22-13-7-6-12-21(22)17-25(28)38)36(19-46-33)32(42)29(40)23(16-20-10-4-3-5-11-20)34-27(39)18-45-26-15-9-8-14-24(26)37(43)44/h3-15,23,25,28-30,38,40H,16-19H2,1-2H3,(H,34,39)(H,35,41)/t23-,25+,28-,29-,30+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	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
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