BDBM50448266 CHEMBL3120829

SMILES: OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

InChI Key: InChIKey=XTSBQYHAOIZDKU-SFTDATJTSA-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 = 50448266   

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 protease falcipain-2 (Plasmodium falciparum)	BDBM50448266 (CHEMBL3120829) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O5/c27-16-22(28)20(14-13-18-8-3-1-4-9-18)25-23(29)21-12-7-15-26(21)24(30)31-17-19-10-5-2-6-11-19/h1-6,8-11,20-21,27H,7,12-17H2,(H,25,29)/t20-,21-/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 protease falcipain-3 (Plasmodium falciparum)	BDBM50448266 (CHEMBL3120829) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O5/c27-16-22(28)20(14-13-18-8-3-1-4-9-18)25-23(29)21-12-7-15-26(21)24(30)31-17-19-10-5-2-6-11-19/h1-6,8-11,20-21,27H,7,12-17H2,(H,25,29)/t20-,21-/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