BDBM50240948 CHEMBL359965::S-allyl prop-2-ene-1-sulfinothioate::allicin::thio-2-propene-1-sulfinic acid S-allyl ester

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

InChI Key: InChIKey=JDLKFOPOAOFWQN-UHFFFAOYSA-N

Data: 3 KI  1 IC50  3 EC50

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 7 hits for monomerid = 50240948   

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
Mitochondrial 2-oxodicarboxylate carrier (Human)	BDBM50240948 (S-allyl prop-2-ene-1-sulfinothioate | allicin | th...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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Transient receptor potential cation channel subfamily A member 1 (Mouse)	BDBM50240948 (S-allyl prop-2-ene-1-sulfinothioate | allicin | th...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Human)	BDBM50240948 (S-allyl prop-2-ene-1-sulfinothioate | allicin | th...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a
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Transient receptor potential cation channel subfamily V member 1 (Rat)	BDBM50240948 (S-allyl prop-2-ene-1-sulfinothioate | allicin | th...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	5.12E+4	n/a	n/a	n/a	n/a
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Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50240948 (S-allyl prop-2-ene-1-sulfinothioate | allicin | th...) Show SMILES Show InChI	GoogleScholar	UniChem		5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Cathepsin B (Human)	BDBM50240948 (S-allyl prop-2-ene-1-sulfinothioate | allicin | th...) Show SMILES Show InChI	GoogleScholar	UniChem		8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Procathepsin L (Human)	BDBM50240948 (S-allyl prop-2-ene-1-sulfinothioate | allicin | th...) Show SMILES Show InChI	GoogleScholar	UniChem		9.30E+3	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