BDBM50084759 4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzenesulfonyl)-piperazine-2-carboxylic acid hydroxyamide::CHEMBL123320

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C

InChI Key: InChIKey=CAPSVCHNNRHIDK-LOACHALJSA-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 = 50084759   

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))	BDBM50084759 (4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C17H25N3O7S/c1-11(2)15(21)17(23)19-8-9-20(14(10-19)16(22)18-24)28(25,26)13-6-4-12(27-3)5-7-13/h4-7,11,14-15,21,24H,8-10H2,1-3H3,(H,18,22)/t14?,15-/m0/s1	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	4.40	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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50084759 (4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C17H25N3O7S/c1-11(2)15(21)17(23)19-8-9-20(14(10-19)16(22)18-24)28(25,26)13-6-4-12(27-3)5-7-13/h4-7,11,14-15,21,24H,8-10H2,1-3H3,(H,18,22)/t14?,15-/m0/s1	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	1.70E+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))	BDBM50084759 (4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C17H25N3O7S/c1-11(2)15(21)17(23)19-8-9-20(14(10-19)16(22)18-24)28(25,26)13-6-4-12(27-3)5-7-13/h4-7,11,14-15,21,24H,8-10H2,1-3H3,(H,18,22)/t14?,15-/m0/s1	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	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))	BDBM50084759 (4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C17H25N3O7S/c1-11(2)15(21)17(23)19-8-9-20(14(10-19)16(22)18-24)28(25,26)13-6-4-12(27-3)5-7-13/h4-7,11,14-15,21,24H,8-10H2,1-3H3,(H,18,22)/t14?,15-/m0/s1	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	60.0	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))	BDBM50084759 (4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C17H25N3O7S/c1-11(2)15(21)17(23)19-8-9-20(14(10-19)16(22)18-24)28(25,26)13-6-4-12(27-3)5-7-13/h4-7,11,14-15,21,24H,8-10H2,1-3H3,(H,18,22)/t14?,15-/m0/s1	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	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-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))	BDBM50084759 (4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C17H25N3O7S/c1-11(2)15(21)17(23)19-8-9-20(14(10-19)16(22)18-24)28(25,26)13-6-4-12(27-3)5-7-13/h4-7,11,14-15,21,24H,8-10H2,1-3H3,(H,18,22)/t14?,15-/m0/s1	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	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50084759 (4-(2-Hydroxy-3-methyl-butyryl)-1-(4-methoxy-benzen...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)[C@@H](O)C(C)C Show InChI InChI=1S/C17H25N3O7S/c1-11(2)15(21)17(23)19-8-9-20(14(10-19)16(22)18-24)28(25,26)13-6-4-12(27-3)5-7-13/h4-7,11,14-15,21,24H,8-10H2,1-3H3,(H,18,22)/t14?,15-/m0/s1	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	227	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