BindingDB PrimarySearch

BDBM22817 5-nitro-2,3-dihydro-1H-indole-2,3-dione::CHEMBL118305::Isatin-based compound, 37

SMILES: [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1

InChI Key: InChIKey=UNMYHYODJHKLOC-UHFFFAOYSA-N

Data: 5 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 22817
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM22817 (5-nitro-2,3-dihydro-1H-indole-2,3-dione \| CHEMBL11...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.43E+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
St. Jude Research Hospital					More data for this Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human))	BDBM22817 (5-nitro-2,3-dihydro-1H-indole-2,3-dione \| CHEMBL11...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents 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 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
St. Jude Research Hospital					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM22817 (5-nitro-2,3-dihydro-1H-indole-2,3-dione \| CHEMBL11...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents 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 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
St. Jude Research Hospital					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM22817 (5-nitro-2,3-dihydro-1H-indole-2,3-dione \| CHEMBL11...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents 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
St. Jude Research Hospital					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM22817 (5-nitro-2,3-dihydro-1H-indole-2,3-dione \| CHEMBL11...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents 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
St. Jude Research Hospital					More data for this Ligand-Target Pair
Falcipain-2 (Plasmodium falciparum)	BDBM22817 (5-nitro-2,3-dihydro-1H-indole-2,3-dione \| CHEMBL11...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Cape Town Curated by ChEMBL					Assay Description Inhibitory activity was tested against Falcipain-2				Bioorg Med Chem Lett 13: 3527-30 (2003) BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
University of Cape Town Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase Pfmrk (Plasmodium falciparum)	BDBM22817 (5-nitro-2,3-dihydro-1H-indole-2,3-dione \| CHEMBL11...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1 Show InChI	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum cyclin-dependent kinase				J Med Chem 47: 5418-26 (2004) Article DOI: 10.1021/jm040108f BindingDB Entry DOI: 10.7270/Q2BZ66TW
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM22817 (5-nitro-2,3-dihydro-1H-indole-2,3-dione \| CHEMBL11...) Show SMILES [O-][N+](=O)c1ccc2NC(=O)C(=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of caspase 3 using Ac-DEVD-AFC fluorogenic substrate				Bioorg Med Chem Lett 21: 1626-9 (2011) Article DOI: 10.1016/j.bmcl.2011.01.110 BindingDB Entry DOI: 10.7270/Q2SJ1MM5
University of Oslo Curated by ChEMBL					More data for this Ligand-Target Pair