BDBM50448247 CHEMBL3120848

SMILES: O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1

InChI Key: InChIKey=PEOGBPZOQJURKT-NGDRWEMDSA-N

Data: 2 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 2 hits for monomerid = 50448247   

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
Cysteine proteinase falcipain 2a (Plasmodium falciparum)	BDBM50448247 (CHEMBL3120848) Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1 |r| Show InChI InChI=1S/C33H38N2O5S/c36-28-21-30(35(22-28)33(39)40-23-27-15-8-3-9-16-27)32(38)34-29(19-18-26-13-6-2-7-14-26)31(37)24-41-20-10-17-25-11-4-1-5-12-25/h1-9,11-16,28-30,36H,10,17-24H2,(H,34,38)/t28-,29+,30+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-2				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair
Cysteine proteinase falcipain 3 (Plasmodium falciparum)	BDBM50448247 (CHEMBL3120848) Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CSCCCc1ccccc1 |r| Show InChI InChI=1S/C33H38N2O5S/c36-28-21-30(35(22-28)33(39)40-23-27-15-8-3-9-16-27)32(38)34-29(19-18-26-13-6-2-7-14-26)31(37)24-41-20-10-17-25-11-4-1-5-12-25/h1-9,11-16,28-30,36H,10,17-24H2,(H,34,38)/t28-,29+,30+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cysteine protease falcipain-3				Bioorg Med Chem Lett 24: 1274-9 (2014) Article DOI: 10.1016/j.bmcl.2014.01.062 BindingDB Entry DOI: 10.7270/Q26Q1ZRJ
					More data for this Ligand-Target Pair