BDBM50137863 4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid::CHEMBL367740::CHEMBL371719::CHEMBL492571

SMILES: OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1

InChI Key: InChIKey=SPMMLCCLNJGITG-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50137863   

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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50137863 (4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1 Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Italy. Vinc Curated by ChEMBL					Assay Description Inhibitory activity against Hepatitis C virus RNA dependent RNA polymerase nonstructural protein 5B				J Med Chem 47: 14-7 (2003) Article DOI: 10.1021/jm0342109 BindingDB Entry DOI: 10.7270/Q2736QB8
					More data for this Ligand-Target Pair
3C-like proteinase (3CL-PRO) (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50137863 (4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1 Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)	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	5.40E+3	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...)	BDBM50137863 (4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1 Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)	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	>5.00E+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
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus)	BDBM50137863 (4-(3-Benzylamino-phenyl)-2,4-dioxo-butyric acid | ...) Show SMILES OC(=O)C(=O)CC(=O)c1cccc(NCc2ccccc2)c1 Show InChI InChI=1S/C17H15NO4/c19-15(10-16(20)17(21)22)13-7-4-8-14(9-13)18-11-12-5-2-1-3-6-12/h1-9,18H,10-11H2,(H,21,22)	UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	7.5	n/a
University of Rome La Sapienza Curated by ChEMBL					Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer)				J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM
					More data for this Ligand-Target Pair