BDBM22772 2-methylcyclohexane-1,3-dione::Benzil-related compound, 51

SMILES: CC1C(=O)CCCC1=O

InChI Key: InChIKey=VSGJHHIAMHUZKF-UHFFFAOYSA-N

Data: 5 KI

PDB links: 1 PDB ID matches 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 5 hits for monomerid = 22772   

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)	BDBM22772 (2-methylcyclohexane-1,3-dione | Benzil-related com...) 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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Liver carboxylesterase 1 (Human)	BDBM22772 (2-methylcyclohexane-1,3-dione | Benzil-related com...) 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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Liver carboxylesterase 1 (Rabbit)	BDBM22772 (2-methylcyclohexane-1,3-dione | Benzil-related com...) 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)	BDBM22772 (2-methylcyclohexane-1,3-dione | Benzil-related com...) 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)	BDBM22772 (2-methylcyclohexane-1,3-dione | Benzil-related com...) 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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					More data for this Ligand-Target Pair