BDBM50273745 (R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(2,6-dimethyl-4-dimethylamino-phenoxyacetyl)amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide::CHEMBL504596::KNI-10282

SMILES: CN(C)c1cc(C)c(OCC(=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)c(C)c1

InChI Key: InChIKey=MHHYVTRSEKCASG-ZYOXRPPDSA-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 = 50273745   

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)	BDBM50273745 ((R)-N-[(1S,2R)-2-Hydroxyindan-1-yl]-3-[(2S,3S)-3-(...) Show SMILES CN(C)c1cc(C)c(OCC(=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)c(C)c1 |r| Show InChI InChI=1S/C37H46N4O6S/c1-22-16-26(40(5)6)17-23(2)33(22)47-20-30(43)38-28(18-24-12-8-7-9-13-24)32(44)36(46)41-21-48-37(3,4)34(41)35(45)39-31-27-15-11-10-14-25(27)19-29(31)42/h7-17,28-29,31-32,34,42,44H,18-21H2,1-6H3,(H,38,43)(H,39,45)/t28-,29+,31-,32-,34+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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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