BDBM50084732 4-(4-Bromo-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 1-[bis-(2-methoxy-ethyl)-amide] 3-hydroxyamide::CHEMBL125601

SMILES: COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1

InChI Key: InChIKey=FKPCCEUCLYUJQA-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50084732   

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))	BDBM50084732 (4-(4-Bromo-benzenesulfonyl)-piperazine-1,3-dicarbo...) Show SMILES COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C18H27BrN4O7S/c1-29-11-9-21(10-12-30-2)18(25)22-7-8-23(16(13-22)17(24)20-26)31(27,28)15-5-3-14(19)4-6-15/h3-6,16,26H,7-13H2,1-2H3,(H,20,24)	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	20	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))	BDBM50084732 (4-(4-Bromo-benzenesulfonyl)-piperazine-1,3-dicarbo...) Show SMILES COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C18H27BrN4O7S/c1-29-11-9-21(10-12-30-2)18(25)22-7-8-23(16(13-22)17(24)20-26)31(27,28)15-5-3-14(19)4-6-15/h3-6,16,26H,7-13H2,1-2H3,(H,20,24)	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	385	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))	BDBM50084732 (4-(4-Bromo-benzenesulfonyl)-piperazine-1,3-dicarbo...) Show SMILES COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C18H27BrN4O7S/c1-29-11-9-21(10-12-30-2)18(25)22-7-8-23(16(13-22)17(24)20-26)31(27,28)15-5-3-14(19)4-6-15/h3-6,16,26H,7-13H2,1-2H3,(H,20,24)	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	385	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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50084732 (4-(4-Bromo-benzenesulfonyl)-piperazine-1,3-dicarbo...) Show SMILES COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C18H27BrN4O7S/c1-29-11-9-21(10-12-30-2)18(25)22-7-8-23(16(13-22)17(24)20-26)31(27,28)15-5-3-14(19)4-6-15/h3-6,16,26H,7-13H2,1-2H3,(H,20,24)	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	1.13E+3	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
Collagenase 3 (Homo sapiens (Human))	BDBM50084732 (4-(4-Bromo-benzenesulfonyl)-piperazine-1,3-dicarbo...) Show SMILES COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C18H27BrN4O7S/c1-29-11-9-21(10-12-30-2)18(25)22-7-8-23(16(13-22)17(24)20-26)31(27,28)15-5-3-14(19)4-6-15/h3-6,16,26H,7-13H2,1-2H3,(H,20,24)	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	3.20	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50084732 (4-(4-Bromo-benzenesulfonyl)-piperazine-1,3-dicarbo...) Show SMILES COCCN(CCOC)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C18H27BrN4O7S/c1-29-11-9-21(10-12-30-2)18(25)22-7-8-23(16(13-22)17(24)20-26)31(27,28)15-5-3-14(19)4-6-15/h3-6,16,26H,7-13H2,1-2H3,(H,20,24)	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	49	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