BDBM50278740 3-Hydroxy-6-methyl-4-thioxo-4H-pyran-2-carboxylic acid 4-methoxy-benzyl ester::CHEMBL470830

SMILES: COc1ccc(CNC(=O)c2oc(C)cc(=S)c2O)cc1

InChI Key: InChIKey=ABYNUYKRSMWNED-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50278740   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interstitial collagenase (Homo sapiens (Human))	BDBM50278740 (3-Hydroxy-6-methyl-4-thioxo-4H-pyran-2-carboxylic ...) Show SMILES COc1ccc(CNC(=O)c2oc(C)cc(=S)c2O)cc1 Show InChI InChI=1S/C15H15NO4S/c1-9-7-12(21)13(17)14(20-9)15(18)16-8-10-3-5-11(19-2)6-4-10/h3-7,17H,8H2,1-2H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MMP1 catalytic domain by fluorescent substrate assay				Bioorg Med Chem Lett 19: 1970-6 (2009) Article DOI: 10.1016/j.bmcl.2009.02.044 BindingDB Entry DOI: 10.7270/Q2H99536
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50278740 (3-Hydroxy-6-methyl-4-thioxo-4H-pyran-2-carboxylic ...) Show SMILES COc1ccc(CNC(=O)c2oc(C)cc(=S)c2O)cc1 Show InChI InChI=1S/C15H15NO4S/c1-9-7-12(21)13(17)14(20-9)15(18)16-8-10-3-5-11(19-2)6-4-10/h3-7,17H,8H2,1-2H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MMP3 catalytic domain by fluorescent substrate assay				Bioorg Med Chem Lett 19: 1970-6 (2009) Article DOI: 10.1016/j.bmcl.2009.02.044 BindingDB Entry DOI: 10.7270/Q2H99536
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50278740 (3-Hydroxy-6-methyl-4-thioxo-4H-pyran-2-carboxylic ...) Show SMILES COc1ccc(CNC(=O)c2oc(C)cc(=S)c2O)cc1 Show InChI InChI=1S/C15H15NO4S/c1-9-7-12(21)13(17)14(20-9)15(18)16-8-10-3-5-11(19-2)6-4-10/h3-7,17H,8H2,1-2H3,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human MMP2 catalytic domain by fluorescent substrate assay				Bioorg Med Chem Lett 19: 1970-6 (2009) Article DOI: 10.1016/j.bmcl.2009.02.044 BindingDB Entry DOI: 10.7270/Q2H99536
					More data for this Ligand-Target Pair