BDBM50066659 1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-HEXAHYDRO-PYRIMIDINE-2-CARBOXYLIC ACID HYDROXYAMIDE::CHEMBL115727::MMP inhibitor II
SMILES: COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)CN(C1C(=O)NO)S(=O)(=O)c1ccc(OC)cc1
InChI Key: InChIKey=MCSWSPNUKWMZHM-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Stromelysin-1 (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-3 (MMP-3). | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-1 (MMP-1). | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-7 (MMP-7). | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Inhibition of matrix metalloprotease-9 (MMP-9). | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Matrix metalloprotease-1 | J Med Chem 41: 3568-71 (1998) Article DOI: 10.1021/jm980253r BindingDB Entry DOI: 10.7270/Q22F7P4F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB Article PubMed | n/a | n/a | 28.6 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay | Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay | Bioorg Med Chem 20: 4164-71 (2012) Article DOI: 10.1016/j.bmc.2012.04.063 BindingDB Entry DOI: 10.7270/Q22808NT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase 7 (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States. Curated by ChEMBL | Assay Description Inhibition of MMP7 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min... | J Med Chem 61: 2166-2210 (2018) Article DOI: 10.1021/acs.jmedchem.7b00315 BindingDB Entry DOI: 10.7270/Q2B56N68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States. Curated by ChEMBL | Assay Description Inhibition of human interstitial recombinant N-terminal MMP1 expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as sub... | J Med Chem 61: 2166-2210 (2018) Article DOI: 10.1021/acs.jmedchem.7b00315 BindingDB Entry DOI: 10.7270/Q2B56N68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB Article PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States. Curated by ChEMBL | Assay Description Inhibition of truncated human recombinant MMP3 catalytic domain expressed in Escherichia coli BL21(DE3) after 3 hrs in presence of [H]-transferrin | J Med Chem 61: 2166-2210 (2018) Article DOI: 10.1021/acs.jmedchem.7b00315 BindingDB Entry DOI: 10.7270/Q2B56N68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Pharmaceutical Sciences, College of Pharmacy and Health Sciences , St. John's University , Queens , New York 11439 , United States. Curated by ChEMBL | Assay Description Inhibition of MMP9 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 min... | J Med Chem 61: 2166-2210 (2018) Article DOI: 10.1021/acs.jmedchem.7b00315 BindingDB Entry DOI: 10.7270/Q2B56N68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB Article 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 Inhibition of Matrix metalloprotease-3 | J Med Chem 41: 3568-71 (1998) Article DOI: 10.1021/jm980253r BindingDB Entry DOI: 10.7270/Q22F7P4F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Matrix metalloprotease-9 | J Med Chem 41: 3568-71 (1998) Article DOI: 10.1021/jm980253r BindingDB Entry DOI: 10.7270/Q22F7P4F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-1 (cd-MMP-1) (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | 7.5 | n/a |
East China University of Science and Technology | Assay Description The activity of cd-MMP-1 was measured using a fluorescence-based assay. It was performed in white 96-well half area microplate (Greiner) in a final v... | J Enzyme Inhib Med Chem 28: 741-6 (2013) Article DOI: 10.3109/14756366.2012.681650 BindingDB Entry DOI: 10.7270/Q2PC3196 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM50066659 (1,3-BIS-(4-METHOXY-BENZENESULFONYL)-5,5-DIMETHYL-H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Matrix metalloprotease-7 | J Med Chem 41: 3568-71 (1998) Article DOI: 10.1021/jm980253r BindingDB Entry DOI: 10.7270/Q22F7P4F | |||||||||||
More data for this Ligand-Target Pair |