BDBM50084761 4-(3,5-Dimethyl-isoxazole-4-sulfonyl)-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide::CHEMBL123563

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1c(C)noc1C

InChI Key: InChIKey=XVZWTHXPJUVJAU-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 = 50084761   

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))	BDBM50084761 (4-(3,5-Dimethyl-isoxazole-4-sulfonyl)-1-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1c(C)noc1C Show InChI InChI=1S/C17H22N4O8S2/c1-11-16(12(2)29-19-11)31(26,27)20-8-9-21(15(10-20)17(22)18-23)30(24,25)14-6-4-13(28-3)5-7-14/h4-7,15,23H,8-10H2,1-3H3,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.40	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))	BDBM50084761 (4-(3,5-Dimethyl-isoxazole-4-sulfonyl)-1-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1c(C)noc1C Show InChI InChI=1S/C17H22N4O8S2/c1-11-16(12(2)29-19-11)31(26,27)20-8-9-21(15(10-20)17(22)18-23)30(24,25)14-6-4-13(28-3)5-7-14/h4-7,15,23H,8-10H2,1-3H3,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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-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))	BDBM50084761 (4-(3,5-Dimethyl-isoxazole-4-sulfonyl)-1-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1c(C)noc1C Show InChI InChI=1S/C17H22N4O8S2/c1-11-16(12(2)29-19-11)31(26,27)20-8-9-21(15(10-20)17(22)18-23)30(24,25)14-6-4-13(28-3)5-7-14/h4-7,15,23H,8-10H2,1-3H3,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.20	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))	BDBM50084761 (4-(3,5-Dimethyl-isoxazole-4-sulfonyl)-1-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1c(C)noc1C Show InChI InChI=1S/C17H22N4O8S2/c1-11-16(12(2)29-19-11)31(26,27)20-8-9-21(15(10-20)17(22)18-23)30(24,25)14-6-4-13(28-3)5-7-14/h4-7,15,23H,8-10H2,1-3H3,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	54	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
Collagenase 3 (Homo sapiens (Human))	BDBM50084761 (4-(3,5-Dimethyl-isoxazole-4-sulfonyl)-1-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1c(C)noc1C Show InChI InChI=1S/C17H22N4O8S2/c1-11-16(12(2)29-19-11)31(26,27)20-8-9-21(15(10-20)17(22)18-23)30(24,25)14-6-4-13(28-3)5-7-14/h4-7,15,23H,8-10H2,1-3H3,(H,18,22)	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	1.30	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
Matrilysin (Homo sapiens (Human))	BDBM50084761 (4-(3,5-Dimethyl-isoxazole-4-sulfonyl)-1-(4-methoxy...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)S(=O)(=O)c1c(C)noc1C Show InChI InChI=1S/C17H22N4O8S2/c1-11-16(12(2)29-19-11)31(26,27)20-8-9-21(15(10-20)17(22)18-23)30(24,25)14-6-4-13(28-3)5-7-14/h4-7,15,23H,8-10H2,1-3H3,(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.02E+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