BDBM22725 Butan-2,3-dione::butane-2,3-dione

SMILES: CC(=O)C(=O)C

InChI Key: InChIKey=QSJXEFYPDANLFS-UHFFFAOYSA-N

Data: 10 KI

PDB links: 1 PDB ID matches this monomer.

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 10 hits for monomerid = 22725   

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)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) Show SMILES Show InChI	GoogleScholar	UniChem		>1.00E+5	>-5.45	n/a	n/a	n/a	n/a	n/a	7.4	25
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Liver carboxylesterase 1 (Human)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) 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)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) 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)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) 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)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) 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
Liver carboxylesterase 1 (Human)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) 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)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) 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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Cocaine esterase (Human)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) 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)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) 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
Acetylcholinesterase (Human)	BDBM22725 (butane-2,3-dione | Butan-2,3-dione) 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
TBA									Citation and Details
					More data for this Ligand-Target Pair