BDBM50335803 3-hydroxy-2-methyl-4H-pyran-4-thione::CHEMBL1650615::Thiomaltol

SMILES: CC1=C(C(=S)C=CO1)O

InChI Key: InChIKey=GKLSXUGPECNEMX-UHFFFAOYSA-N

Data: 1 KI  8 IC50

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 9 hits for monomerid = 50335803   

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
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.67E+5	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.90E+5	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.35E+5	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.04E+5	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.68E+5	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.59E+5	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyphenol oxidase 2 (White button mushroom)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Human)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus anthracis)	BDBM50335803 (3-hydroxy-2-methyl-4H-pyran-4-thione | CHEMBL16506...) Show SMILES Show InChI	GoogleScholar	UniChem		8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair