BDBM50084731 4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 1-(cyclopropylmethyl-propyl-amide) 3-hydroxyamide::CHEMBL125672

SMILES: CCCN(CC1CC1)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=PNVLBMRGQMDPBJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50084731   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50084731 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES CCCN(CC1CC1)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H30N4O6S/c1-3-10-22(13-15-4-5-15)20(26)23-11-12-24(18(14-23)19(25)21-27)31(28,29)17-8-6-16(30-2)7-9-17/h6-9,15,18,27H,3-5,10-14H2,1-2H3,(H,21,25)	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	493	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
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50084731 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES CCCN(CC1CC1)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H30N4O6S/c1-3-10-22(13-15-4-5-15)20(26)23-11-12-24(18(14-23)19(25)21-27)31(28,29)17-8-6-16(30-2)7-9-17/h6-9,15,18,27H,3-5,10-14H2,1-2H3,(H,21,25)	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	2.09E+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
Stromelysin-1 (Homo sapiens (Human))	BDBM50084731 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES CCCN(CC1CC1)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H30N4O6S/c1-3-10-22(13-15-4-5-15)20(26)23-11-12-24(18(14-23)19(25)21-27)31(28,29)17-8-6-16(30-2)7-9-17/h6-9,15,18,27H,3-5,10-14H2,1-2H3,(H,21,25)	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	65	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))	BDBM50084731 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES CCCN(CC1CC1)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H30N4O6S/c1-3-10-22(13-15-4-5-15)20(26)23-11-12-24(18(14-23)19(25)21-27)31(28,29)17-8-6-16(30-2)7-9-17/h6-9,15,18,27H,3-5,10-14H2,1-2H3,(H,21,25)	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	65	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))	BDBM50084731 (4-(4-Methoxy-benzenesulfonyl)-piperazine-1,3-dicar...) Show SMILES CCCN(CC1CC1)C(=O)N1CCN(C(C1)C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C20H30N4O6S/c1-3-10-22(13-15-4-5-15)20(26)23-11-12-24(18(14-23)19(25)21-27)31(28,29)17-8-6-16(30-2)7-9-17/h6-9,15,18,27H,3-5,10-14H2,1-2H3,(H,21,25)	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	1.10	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