BDBM50076598 4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol::CHEMBL172912

SMILES: COc1ccc(cc1)S(=O)(=O)CCC(C)S

InChI Key: InChIKey=UXTQFUKVODXBBJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50076598   

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))	BDBM50076598 (4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol | CHE...) Show SMILES COc1ccc(cc1)S(=O)(=O)CCC(C)S Show InChI InChI=1S/C11H16O3S2/c1-9(15)7-8-16(12,13)11-5-3-10(14-2)4-6-11/h3-6,9,15H,7-8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloproteinase-1 (MMP-1)				Bioorg Med Chem Lett 9: 943-8 (1999) BindingDB Entry DOI: 10.7270/Q2B8578V
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50076598 (4-(4-Methoxy-benzenesulfonyl)-butane-2-thiol | CHE...) Show SMILES COc1ccc(cc1)S(=O)(=O)CCC(C)S Show InChI InChI=1S/C11H16O3S2/c1-9(15)7-8-16(12,13)11-5-3-10(14-2)4-6-11/h3-6,9,15H,7-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Searle Discovery Research Curated by ChEMBL					Assay Description Inhibition of Matrix metalloproteinase-13 (MMP-13)				Bioorg Med Chem Lett 9: 943-8 (1999) BindingDB Entry DOI: 10.7270/Q2B8578V
					More data for this Ligand-Target Pair