BDBM50209563 (R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-((2S,3S)-2-hydroxy-3-((R)-2-(2-(4-methoxyphenyl)acetamido)-3-(methylthio)propanamido)-4-phenylbutanoyl)-5,5-dimethylthiazolidine-4-carboxamide::CHEMBL389083::KNI-10315

SMILES: COc1ccc(CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1

InChI Key: InChIKey=GJESXLGDWNCUSK-DYCNJNKSSA-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 = 50209563   

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)	BDBM50209563 ((R)-N-((1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl...) Show SMILES COc1ccc(CC(=O)N[C@@H](CSC)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C38H46N4O7S2/c1-38(2)34(36(47)41-32-27-13-9-8-12-25(27)20-30(32)43)42(22-51-38)37(48)33(45)28(18-23-10-6-5-7-11-23)40-35(46)29(21-50-4)39-31(44)19-24-14-16-26(49-3)17-15-24/h5-17,28-30,32-34,43,45H,18-22H2,1-4H3,(H,39,44)(H,40,46)(H,41,47)/t28-,29-,30+,32-,33-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4	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
					More data for this Ligand-Target Pair