BDBM50258085 4-(4-(benzyloxy)phenyl)-2-hydroxy-4-oxobut-2-enoic acid::CHEMBL492768

SMILES: OC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=KMRYXNIEUDTYAJ-UHFFFAOYSA-N

Data: 1 KI  2 IC50  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 4 hits for monomerid = 50258085   

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)	BDBM50258085 (4-(4-(benzyloxy)phenyl)-2-hydroxy-4-oxobut-2-enoic...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.99E+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)	BDBM50258085 (4-(4-(benzyloxy)phenyl)-2-hydroxy-4-oxobut-2-enoic...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.80E+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
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50258085 (4-(4-(benzyloxy)phenyl)-2-hydroxy-4-oxobut-2-enoic...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of SCV helicase assessed as duplex-DNA unwinding by FRET based assay				Bioorg Med Chem Lett 19: 1636-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.010 BindingDB Entry DOI: 10.7270/Q2CR5T7K
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50258085 (4-(4-(benzyloxy)phenyl)-2-hydroxy-4-oxobut-2-enoic...) Show SMILES OC(=O)C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C17H14O5/c18-15(10-16(19)17(20)21)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of ATPase activity of SCV helicase assessed as phosphate release by colorimetric assay				Bioorg Med Chem Lett 19: 1636-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.010 BindingDB Entry DOI: 10.7270/Q2CR5T7K
					More data for this Ligand-Target Pair