BDBM50084745 4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide::4-hexanoyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide::CHEMBL123615

SMILES: CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=IAENNQHKVZEBQT-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50084745   

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))	BDBM50084745 (4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...) Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23)	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	1.70	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
Collagenase 3 (Homo sapiens (Human))	BDBM50084745 (4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...) Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23)	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	1.70	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))	BDBM50084745 (4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...) Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23)	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	115	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))	BDBM50084745 (4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...) Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23)	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	39	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
Stromelysin-1 (Homo sapiens (Human))	BDBM50084745 (4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...) Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23)	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	39	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
Collagenase 3 (Homo sapiens (Human))	BDBM50084745 (4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...) Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50084745 (4-Hexanoyl-1-(4-methoxy-benzenesulfonyl)-piperazin...) Show SMILES CCCCCC(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C18H27N3O6S/c1-3-4-5-6-17(22)20-11-12-21(16(13-20)18(23)19-24)28(25,26)15-9-7-14(27-2)8-10-15/h7-10,16,24H,3-6,11-13H2,1-2H3,(H,19,23)	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	787	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