BDBM50076290 CHEMBL284151::N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N-{(2S,3S)-3-[2-(2,5-dimethyl-phenoxy)-acetylamino]-2-hydroxy-4-phenyl-butyl}-3-(dioxo-1,3-dihydro-isoindol-2-yl)-propionamide

SMILES: Cc1ccc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN(CCc2ccc3OCOc3c2)C(=O)CCN2C(=O)c3ccccc3C2=O)c1

InChI Key: InChIKey=ZSHFMZHRSHWJFC-LQJZCPKCSA-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 = 50076290   

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)	BDBM50076290 (CHEMBL284151 | N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-N...) Show SMILES Cc1ccc(C)c(OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN(CCc2ccc3OCOc3c2)C(=O)CCN2C(=O)c3ccccc3C2=O)c1 Show InChI InChI=1S/C40H41N3O8/c1-26-12-13-27(2)35(20-26)49-24-37(45)41-32(21-28-8-4-3-5-9-28)33(44)23-42(18-16-29-14-15-34-36(22-29)51-25-50-34)38(46)17-19-43-39(47)30-10-6-7-11-31(30)40(43)48/h3-15,20,22,32-33,44H,16-19,21,23-25H2,1-2H3,(H,41,45)/t32-,33-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against Plasmepsin 2				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
					More data for this Ligand-Target Pair				3D Structure (docked)