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
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 |...) | 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 |...) | 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 |...) | 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 |...) | 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 |...) | 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 |