BDBM50084742 4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 1-(benzyl-methyl-amide) 3-hydroxyamide::CHEMBL126004

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N(C)Cc1ccccc1

InChI Key: InChIKey=SJJAJPMVTRAZSX-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 = 50084742   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50084742 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C21H26N4O6S/c1-23(14-16-6-4-3-5-7-16)21(27)24-12-13-25(19(15-24)20(26)22-28)32(29,30)18-10-8-17(31-2)9-11-18/h3-11,19,28H,12-15H2,1-2H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13 (MMP-13)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50084742 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C21H26N4O6S/c1-23(14-16-6-4-3-5-7-16)21(27)24-12-13-25(19(15-24)20(26)22-28)32(29,30)18-10-8-17(31-2)9-11-18/h3-11,19,28H,12-15H2,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Binding affinity towards matrix metalloprotease-3				J Med Chem 44: 3849-55 (2001) BindingDB Entry DOI: 10.7270/Q2ZK5HWX
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50084742 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C21H26N4O6S/c1-23(14-16-6-4-3-5-7-16)21(27)24-12-13-25(19(15-24)20(26)22-28)32(29,30)18-10-8-17(31-2)9-11-18/h3-11,19,28H,12-15H2,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	322	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-1 (MMP-1)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50084742 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)N(C)Cc1ccccc1 Show InChI InChI=1S/C21H26N4O6S/c1-23(14-16-6-4-3-5-7-16)21(27)24-12-13-25(19(15-24)20(26)22-28)32(29,30)18-10-8-17(31-2)9-11-18/h3-11,19,28H,12-15H2,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-3 (MMP-3)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair