BDBM50084734 3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-piperazine-1-carboxylic acid pyridin-3-ylmethyl ester::CHEMBL338007

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1cccnc1

InChI Key: InChIKey=JDOCJRYXQAWUOO-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 = 50084734   

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))	BDBM50084734 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1cccnc1 Show InChI InChI=1S/C19H22N4O7S/c1-29-15-4-6-16(7-5-15)31(27,28)23-10-9-22(12-17(23)18(24)21-26)19(25)30-13-14-3-2-8-20-11-14/h2-8,11,17,26H,9-10,12-13H2,1H3,(H,21,24)	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	1.90	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))	BDBM50084734 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1cccnc1 Show InChI InChI=1S/C19H22N4O7S/c1-29-15-4-6-16(7-5-15)31(27,28)23-10-9-22(12-17(23)18(24)21-26)19(25)30-13-14-3-2-8-20-11-14/h2-8,11,17,26H,9-10,12-13H2,1H3,(H,21,24)	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	8.90	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))	BDBM50084734 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1cccnc1 Show InChI InChI=1S/C19H22N4O7S/c1-29-15-4-6-16(7-5-15)31(27,28)23-10-9-22(12-17(23)18(24)21-26)19(25)30-13-14-3-2-8-20-11-14/h2-8,11,17,26H,9-10,12-13H2,1H3,(H,21,24)	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	8.90	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
Collagenase 3 (Homo sapiens (Human))	BDBM50084734 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1cccnc1 Show InChI InChI=1S/C19H22N4O7S/c1-29-15-4-6-16(7-5-15)31(27,28)23-10-9-22(12-17(23)18(24)21-26)19(25)30-13-14-3-2-8-20-11-14/h2-8,11,17,26H,9-10,12-13H2,1H3,(H,21,24)	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	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50084734 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1cccnc1 Show InChI InChI=1S/C19H22N4O7S/c1-29-15-4-6-16(7-5-15)31(27,28)23-10-9-22(12-17(23)18(24)21-26)19(25)30-13-14-3-2-8-20-11-14/h2-8,11,17,26H,9-10,12-13H2,1H3,(H,21,24)	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	18	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
Matrilysin (Homo sapiens (Human))	BDBM50084734 (3-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-p...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC1C(=O)NO)C(=O)OCc1cccnc1 Show InChI InChI=1S/C19H22N4O7S/c1-29-15-4-6-16(7-5-15)31(27,28)23-10-9-22(12-17(23)18(24)21-26)19(25)30-13-14-3-2-8-20-11-14/h2-8,11,17,26H,9-10,12-13H2,1H3,(H,21,24)	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	502	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