BDBM50084762 4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 1-benzylamide 3-hydroxyamide::4-Benzylthiocarbamoyl-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide::CHEMBL126388

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=S)NCc1ccccc1

InChI Key: InChIKey=DEZZFUOGAFLCST-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50084762   

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))	BDBM50084762 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=S)NCc1ccccc1 Show InChI InChI=1S/C20H24N4O5S2/c1-29-16-7-9-17(10-8-16)31(27,28)24-12-11-23(14-18(24)19(25)22-26)20(30)21-13-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,30)(H,22,25)	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	6.60	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-9 (MMP-9)				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))	BDBM50084762 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=S)NCc1ccccc1 Show InChI InChI=1S/C20H24N4O5S2/c1-29-16-7-9-17(10-8-16)31(27,28)24-12-11-23(14-18(24)19(25)22-26)20(30)21-13-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,30)(H,22,25)	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	41	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50084762 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=S)NCc1ccccc1 Show InChI InChI=1S/C20H24N4O5S2/c1-29-16-7-9-17(10-8-16)31(27,28)24-12-11-23(14-18(24)19(25)22-26)20(30)21-13-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,30)(H,22,25)	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	41	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))	BDBM50084762 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=S)NCc1ccccc1 Show InChI InChI=1S/C20H24N4O5S2/c1-29-16-7-9-17(10-8-16)31(27,28)24-12-11-23(14-18(24)19(25)22-26)20(30)21-13-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,30)(H,22,25)	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	68	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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50084762 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=S)NCc1ccccc1 Show InChI InChI=1S/C20H24N4O5S2/c1-29-16-7-9-17(10-8-16)31(27,28)24-12-11-23(14-18(24)19(25)22-26)20(30)21-13-15-5-3-2-4-6-15/h2-10,18,26H,11-14H2,1H3,(H,21,30)(H,22,25)	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	401	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-7 (MMP-7)				J Med Chem 43: 369-80 (2000) BindingDB Entry DOI: 10.7270/Q2J965M3
					More data for this Ligand-Target Pair