BDBM50448249 CHEMBL3120846

SMILES: OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1

InChI Key: InChIKey=ASQLHHFYZKKBHM-VTEZHUTGSA-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 = 50448249   

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)	BDBM50448249 (CHEMBL3120846) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1 |r,c:21| Show InChI InChI=1S/C27H30N2O5/c30-16-23(31)22(14-11-18-7-3-1-4-8-18)28-26(32)24-20-12-13-21(15-20)25(24)29-27(33)34-17-19-9-5-2-6-10-19/h1-10,12-13,20-22,24-25,30H,11,14-17H2,(H,28,32)(H,29,33)/t20?,21?,22-,24?,25?/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.36E+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)	BDBM50448249 (CHEMBL3120846) Show SMILES OCC(=O)[C@H](CCc1ccccc1)NC(=O)C1C2CC(C=C2)C1NC(=O)OCc1ccccc1 |r,c:21| Show InChI InChI=1S/C27H30N2O5/c30-16-23(31)22(14-11-18-7-3-1-4-8-18)28-26(32)24-20-12-13-21(15-20)25(24)29-27(33)34-17-19-9-5-2-6-10-19/h1-10,12-13,20-22,24-25,30H,11,14-17H2,(H,28,32)(H,29,33)/t20?,21?,22-,24?,25?/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.54E+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