BDBM50146530 (S)-2-[4-(4-{(S)-1-[(S)-1-((S)-2-Butylcarbamoyl-1-hydroxy-ethyl)-3-methyl-butylcarbamoyl]-2-methyl-butylcarbamoyl}-phenoxy)-benzoylamino]-4-methyl-pentanoic acid::CHEMBL98043

SMILES: CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(O)=O)cc1)C(C)CC

InChI Key: InChIKey=ZJHMLSNKVGQEQU-WEPSTKNBSA-N

Data: 1 IC50

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 = 50146530   

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)	BDBM50146530 ((S)-2-[4-(4-{(S)-1-[(S)-1-((S)-2-Butylcarbamoyl-1-...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(O)=O)cc1)C(C)CC Show InChI InChI=1S/C38H56N4O8/c1-8-10-19-39-33(44)22-32(43)30(20-23(3)4)40-37(47)34(25(7)9-2)42-36(46)27-13-17-29(18-14-27)50-28-15-11-26(12-16-28)35(45)41-31(38(48)49)21-24(5)6/h11-18,23-25,30-32,34,43H,8-10,19-22H2,1-7H3,(H,39,44)(H,40,47)(H,41,45)(H,42,46)(H,48,49)/t25?,30-,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	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description In vitro concentration required for inhibition of Plasmodium falciparum plasmepsin-2				Bioorg Med Chem Lett 14: 2931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.030 BindingDB Entry DOI: 10.7270/Q2G44QVR
					More data for this Ligand-Target Pair