BDBM50152575 2,4-Dioxo-4-o-tolyl-butyric acid::CHEMBL1829214::CHEMBL185898::Sacchettini_1

SMILES: Cc1ccccc1C(=O)CC(=O)C(O)=O

InChI Key: InChIKey=AVVYWVLNDGDANA-UHFFFAOYSA-N

Data: 1 KI  3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 50152575   

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)	BDBM50152575 (2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...) Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)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	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.00E+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
DNA excision repair protein ERCC-5 (Homo sapiens (Human))	BDBM50152575 (2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...) Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Athersys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Xeroderma pigmentosum G				Bioorg Med Chem Lett 14: 4915-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.028 BindingDB Entry DOI: 10.7270/Q2ZC82BF
					More data for this Ligand-Target Pair
PA/PB1 (Hepatitis C virus)	BDBM50152575 (2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...) Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)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	CHEMBL KEGG PC cid PC sid PDB UniChem Patents 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
GlcB (Homo sapiens (Human))	BDBM50152575 (2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...) Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)	PDB GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB D3R	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description DNTB-Coupled_Enzyme_Assay				D3R 223: (2015) BindingDB Entry DOI: 10.7270/Q2NC602G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Flap endonuclease 1 (Homo sapiens (Human))	BDBM50152575 (2,4-Dioxo-4-o-tolyl-butyric acid | CHEMBL1829214 |...) Show SMILES Cc1ccccc1C(=O)CC(=O)C(O)=O Show InChI InChI=1S/C11H10O4/c1-7-4-2-3-5-8(7)9(12)6-10(13)11(14)15/h2-5H,6H2,1H3,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Athersys, Inc. Curated by ChEMBL					Assay Description Concentration required for 50% inhibition of Flap endonuclease-1				Bioorg Med Chem Lett 14: 4915-8 (2004) Article DOI: 10.1016/j.bmcl.2004.07.028 BindingDB Entry DOI: 10.7270/Q2ZC82BF
					More data for this Ligand-Target Pair