BDBM50131522 2-[(4-But-2-ynylsulfanyl-benzenesulfonyl)-methyl-amino]-N-hydroxy-acetamide::CHEMBL94518

SMILES: CC#CCSc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO

InChI Key: InChIKey=RLUGMDBAWBLDJQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50131522   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50131522 (2-[(4-But-2-ynylsulfanyl-benzenesulfonyl)-methyl-a...) Show SMILES CC#CCSc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO Show InChI InChI=1S/C13H16N2O4S2/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotein-9				Bioorg Med Chem Lett 13: 2799-803 (2003) BindingDB Entry DOI: 10.7270/Q21N80H7
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50131522 (2-[(4-But-2-ynylsulfanyl-benzenesulfonyl)-methyl-a...) Show SMILES CC#CCSc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO Show InChI InChI=1S/C13H16N2O4S2/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotein 1				Bioorg Med Chem Lett 13: 2799-803 (2003) BindingDB Entry DOI: 10.7270/Q21N80H7
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50131522 (2-[(4-But-2-ynylsulfanyl-benzenesulfonyl)-methyl-a...) Show SMILES CC#CCSc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO Show InChI InChI=1S/C13H16N2O4S2/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of tumor necrosis factor-alpha converting enzyme				Bioorg Med Chem Lett 13: 2799-803 (2003) BindingDB Entry DOI: 10.7270/Q21N80H7
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50131522 (2-[(4-But-2-ynylsulfanyl-benzenesulfonyl)-methyl-a...) Show SMILES CC#CCSc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NO Show InChI InChI=1S/C13H16N2O4S2/c1-3-4-9-20-11-5-7-12(8-6-11)21(18,19)15(2)10-13(16)14-17/h5-8,17H,9-10H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotein 13				Bioorg Med Chem Lett 13: 2799-803 (2003) BindingDB Entry DOI: 10.7270/Q21N80H7
					More data for this Ligand-Target Pair