BDBM50385501 CHEMBL2040553

SMILES: COc1ccc(cc1)C(=O)CC(=O)C(O)=O

InChI Key: InChIKey=QTDIUFUNHQSHTP-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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 = 50385501   

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
PA/PB1 (Hepatitis C virus)	BDBM50385501 (CHEMBL2040553) Show SMILES COc1ccc(cc1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O5/c1-16-8-4-2-7(3-5-8)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Binding affinity to PA N-terminal domain (Competitive)				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair
PA/PB1 (Hepatitis C virus)	BDBM50385501 (CHEMBL2040553) Show SMILES COc1ccc(cc1)C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O5/c1-16-8-4-2-7(3-5-8)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a
University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Plaque growth inhibition				ACS Chem Biol 7: 526-34 (2012) Article DOI: 10.1021/cb200439z BindingDB Entry DOI: 10.7270/Q2JQ121G
					More data for this Ligand-Target Pair