BDBM10304 1-methyl-2,3-dihydro-1H-indole-2,3-dione::CHEMBL60569::Isatin analog 8::N‐methylindol‐2,3‐dione (Compound 2)

SMILES: CN1c2ccccc2C(=O)C1=O

InChI Key: InChIKey=VCYBVWFTGAZHGH-UHFFFAOYSA-N

Data: 6 KI  3 IC50

PDB links: 3 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 10304   

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
Caspase-3 (Human)	BDBM10304 (1-methyl-2,3-dihydro-1H-indole-2,3-dione | N‐...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	7.5	30
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Secreted chorismate mutase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM10304 (1-methyl-2,3-dihydro-1H-indole-2,3-dione | N‐...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	n/a	37
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Transthyretin (Human)	BDBM10304 (1-methyl-2,3-dihydro-1H-indole-2,3-dione | N‐...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
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Liver carboxylesterase 1 (Human)	BDBM10304 (1-methyl-2,3-dihydro-1H-indole-2,3-dione | N‐...) Show SMILES Show InChI	GoogleScholar	UniChem		5.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Coagulation factor XII (Human)	BDBM10304 (1-methyl-2,3-dihydro-1H-indole-2,3-dione | N‐...) Show SMILES Show InChI	GoogleScholar	UniChem		3.82E+4	-6.02	n/a	n/a	n/a	n/a	n/a	7.4	25
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Liver carboxylesterase 1 (Rabbit)	BDBM10304 (1-methyl-2,3-dihydro-1H-indole-2,3-dione | N‐...) 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)	BDBM10304 (1-methyl-2,3-dihydro-1H-indole-2,3-dione | N‐...) 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)	BDBM10304 (1-methyl-2,3-dihydro-1H-indole-2,3-dione | N‐...) 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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Genome polyprotein (Human rhinovirus B)	BDBM10304 (1-methyl-2,3-dihydro-1H-indole-2,3-dione | N‐...) 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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