BDBM50111604 3-[(4-Phenoxy-phenylamino)-methylene]-3H-isobenzofuran-1-one::3-[1-(4-Phenoxy-phenylamino)-meth-(Z)-ylidene]-3H-isobenzofuran-1-one::CHEMBL430923
SMILES: Oc1oc(\C=N\c2ccc(Oc3ccccc3)cc2)c2ccccc12
InChI Key: InChIKey=QOGQMKLTNUZPHY-HYARGMPZSA-N
Data: 5 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chymotrypsin (Homo sapiens (Human)) | BDBM50111604 (3-[(4-Phenoxy-phenylamino)-methylene]-3H-isobenzof...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against chymotrypsinogen | J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM50111604 (3-[(4-Phenoxy-phenylamino)-methylene]-3H-isobenzof...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against beta-lactamase | J Med Chem 45: 1712-22 (2002) BindingDB Entry DOI: 10.7270/Q20C4WHD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-lactamase AmpC (Escherichia coli) | BDBM50111604 (3-[(4-Phenoxy-phenylamino)-methylene]-3H-isobenzof...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against Amp C beta-Lactamase | J Med Chem 46: 4265-72 (2003) Article DOI: 10.1021/jm030266r BindingDB Entry DOI: 10.7270/Q29C6Z59 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-chymotrypsin (Homo sapiens (Human)) | BDBM50111604 (3-[(4-Phenoxy-phenylamino)-methylene]-3H-isobenzof...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus | J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Malate dehydrogenase (Thermus thermophilus) | BDBM50111604 (3-[(4-Phenoxy-phenylamino)-methylene]-3H-isobenzof...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwestern University Curated by ChEMBL | Assay Description Inhibitory activity against malate dehydrogenase (MDH) from Thermus flavus | J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT | |||||||||||
More data for this Ligand-Target Pair |