BDBM22801 1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione::Isatin-based compound, 21

SMILES: COc1cc(NCN2C(=O)C(=O)c3ccccc23)cc(OC)c1OC

InChI Key: InChIKey=PMOXSSDYTPGESZ-UHFFFAOYSA-N

Data: 5 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 22801   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor XII (Human)	BDBM22801 (1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		2.69E+3	-7.59	n/a	n/a	n/a	n/a	n/a	7.4	25
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Liver carboxylesterase 1 (Human)	BDBM22801 (1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Liver carboxylesterase 1 (Rabbit)	BDBM22801 (1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Acetylcholinesterase (Human)	BDBM22801 (1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cholinesterase (Human)	BDBM22801 (1-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2,3-dihy...) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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