BDBM50415542 CHEMBL602103

SMILES: COc1ccc(C(=O)\C=C\c2ccc(OCC#C)cc2)c(OC)c1

InChI Key: InChIKey=HKHCTPXOOKKZPX-KPKJPENVSA-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 = 50415542   

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)	BDBM50415542 (CHEMBL602103) Show SMILES COc1ccc(C(=O)\C=C\c2ccc(OCC#C)cc2)c(OC)c1 Show InChI InChI=1S/C20H18O4/c1-4-13-24-16-8-5-15(6-9-16)7-12-19(21)18-11-10-17(22-2)14-20(18)23-3/h1,5-12,14H,13H2,2-3H3/b12-7+	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