BDBM50448257 CHEMBL3120838

SMILES: CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1

InChI Key: InChIKey=AOSWKKZBRZECMV-NSOVKSMOSA-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 = 50448257   

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)	BDBM50448257 (CHEMBL3120838) Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H32N2O6/c1-22(34)38-21-29(35)27(17-16-23-10-4-2-5-11-23)32-30(36)28-18-25-14-8-9-15-26(25)19-33(28)31(37)39-20-24-12-6-3-7-13-24/h2-15,27-28H,16-21H2,1H3,(H,32,36)/t27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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)	BDBM50448257 (CHEMBL3120838) Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C31H32N2O6/c1-22(34)38-21-29(35)27(17-16-23-10-4-2-5-11-23)32-30(36)28-18-25-14-8-9-15-26(25)19-33(28)31(37)39-20-24-12-6-3-7-13-24/h2-15,27-28H,16-21H2,1H3,(H,32,36)/t27-,28-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	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