BDBM22797 1-{[(4-methylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 17

SMILES: Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1

InChI Key: InChIKey=UFTXSYLWLUWMAC-UHFFFAOYSA-N

Data: 5 KI

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 = 22797   

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))	BDBM22797 (1-{[(4-methylphenyl)amino]methyl}-2,3-dihydro-1H-i...) Show SMILES Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.08E+3	-8.13	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))	BDBM22797 (1-{[(4-methylphenyl)amino]methyl}-2,3-dihydro-1H-i...) Show SMILES Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.65E+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))	BDBM22797 (1-{[(4-methylphenyl)amino]methyl}-2,3-dihydro-1H-i...) Show SMILES Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	7.40E+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))	BDBM22797 (1-{[(4-methylphenyl)amino]methyl}-2,3-dihydro-1H-i...) Show SMILES Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.81E+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))	BDBM22797 (1-{[(4-methylphenyl)amino]methyl}-2,3-dihydro-1H-i...) Show SMILES Cc1ccc(NCN2C(=O)C(=O)c3ccccc23)cc1 Show InChI InChI=1S/C16H14N2O2/c1-11-6-8-12(9-7-11)17-10-18-14-5-3-2-4-13(14)15(19)16(18)20/h2-9,17H,10H2,1H3	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