BDBM50335495 4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl methanesulfonate::CHEMBL1651842::US10357546, JNMS-38
SMILES: CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
InChI Key: InChIKey=IEHSRERHOYOHOA-UHFFFAOYSA-N
Data: 14 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neutrophil collagenase (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame du Lac US Patent | Assay Description Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C... | US Patent US10357546 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5K03 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry | ACS Med Chem Lett 2: 177-181 (2011) Article DOI: 10.1021/ml100254e BindingDB Entry DOI: 10.7270/Q2N29X6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis | ACS Med Chem Lett 3: 490-495 (2012) Article DOI: 10.1021/ml300050b BindingDB Entry DOI: 10.7270/Q2T43V4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry | ACS Med Chem Lett 2: 177-181 (2011) Article DOI: 10.1021/ml100254e BindingDB Entry DOI: 10.7270/Q2N29X6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis | ACS Med Chem Lett 3: 490-495 (2012) Article DOI: 10.1021/ml300050b BindingDB Entry DOI: 10.7270/Q2T43V4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis | ACS Med Chem Lett 3: 490-495 (2012) Article DOI: 10.1021/ml300050b BindingDB Entry DOI: 10.7270/Q2T43V4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry | ACS Med Chem Lett 2: 177-181 (2011) Article DOI: 10.1021/ml100254e BindingDB Entry DOI: 10.7270/Q2N29X6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of human MMP3 using fluorogenic substrate by Dixon plot analysis | ACS Med Chem Lett 3: 490-495 (2012) Article DOI: 10.1021/ml300050b BindingDB Entry DOI: 10.7270/Q2T43V4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP3 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry | ACS Med Chem Lett 2: 177-181 (2011) Article DOI: 10.1021/ml100254e BindingDB Entry DOI: 10.7270/Q2N29X6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame du Lac US Patent | Assay Description Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C... | US Patent US10357546 (2019) BindingDB Entry DOI: 10.7270/Q2ZK5K03 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP7 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry | ACS Med Chem Lett 2: 177-181 (2011) Article DOI: 10.1021/ml100254e BindingDB Entry DOI: 10.7270/Q2N29X6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of human MMP7 using fluorogenic substrate by Dixon plot analysis | ACS Med Chem Lett 3: 490-495 (2012) Article DOI: 10.1021/ml300050b BindingDB Entry DOI: 10.7270/Q2T43V4Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP1 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry | ACS Med Chem Lett 2: 177-181 (2011) Article DOI: 10.1021/ml100254e BindingDB Entry DOI: 10.7270/Q2N29X6G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50335495 (4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Competitive inhibition of human MMP1 using fluorogenic substrate by Dixon plot analysis | ACS Med Chem Lett 3: 490-495 (2012) Article DOI: 10.1021/ml300050b BindingDB Entry DOI: 10.7270/Q2T43V4Q | |||||||||||
More data for this Ligand-Target Pair |