BDBM50415541 CHEMBL597017

SMILES: COc1ccc(C(=O)\C=C\c2ccc(OCC#C)cc2)c(OC)c1OC

InChI Key: InChIKey=FITGPSUYSCFUMG-XYOKQWHBSA-N

Data: 1 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 1 hit for monomerid = 50415541   

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
Falcipain-2 (Plasmodium falciparum)	BDBM50415541 (CHEMBL597017) Show SMILES COc1ccc(C(=O)\C=C\c2ccc(OCC#C)cc2)c(OC)c1OC Show InChI InChI=1S/C21H20O5/c1-5-14-26-16-9-6-15(7-10-16)8-12-18(22)17-11-13-19(23-2)21(25-4)20(17)24-3/h1,6-13H,14H2,2-4H3/b12-8+	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum falcipain-2				Bioorg Med Chem Lett 20: 942-4 (2010) Article DOI: 10.1016/j.bmcl.2009.12.062 BindingDB Entry DOI: 10.7270/Q26M383G
					More data for this Ligand-Target Pair