BDBM22799 1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 19
SMILES: CCc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1
InChI Key: InChIKey=RSHQIUJQSSPXSC-UHFFFAOYSA-N
Data: 5 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Factor XIIa (Homo sapiens (Human)) | BDBM22799 (1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 410 | -8.71 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
St. Jude Research Hospital | Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM22799 (1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carboxylesterase 1 (Oryctolagus cuniculus (rabbit)) | BDBM22799 (1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 4.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterases (Homo sapiens (Human)) | BDBM22799 (1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM22799 (1-{[(4-ethylphenyl)amino]methyl}-2,3-dihydro-1H-in...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Similars | Article PubMed | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Research Hospital | Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob... | J Med Chem 50: 1876-85 (2007) Article DOI: 10.1021/jm061471k BindingDB Entry DOI: 10.7270/Q2TX3CNK | |||||||||||
More data for this Ligand-Target Pair |