BDBM50448254 CHEMBL3120841

SMILES: CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=HRUYIZQVOURFNK-QHCPKHFHSA-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 = 50448254   

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)	BDBM50448254 (CHEMBL3120841) Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H32N2O6S/c1-20(30)34-19-24(31)23(13-12-21-8-4-2-5-9-21)28-25(32)27(14-16-36-17-15-27)29-26(33)35-18-22-10-6-3-7-11-22/h2-11,23H,12-19H2,1H3,(H,28,32)(H,29,33)/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.39E+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)	BDBM50448254 (CHEMBL3120841) Show SMILES CC(=O)OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1(CCSCC1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C27H32N2O6S/c1-20(30)34-19-24(31)23(13-12-21-8-4-2-5-9-21)28-25(32)27(14-16-36-17-15-27)29-26(33)35-18-22-10-6-3-7-11-22/h2-11,23H,12-19H2,1H3,(H,28,32)(H,29,33)/t23-/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