BDBM50082555 4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-carboxylic acid hydroxyamide::CHEMBL345054
SMILES: COc1ccc(cc1)S(=O)(=O)N1CCSCC1C(=O)NO
InChI Key: InChIKey=SKVZRQFKXKDXCW-UHFFFAOYSA-N
Data: 8 IC50
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)) | BDBM50082555![]() (4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 15 | 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. | J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50082555![]() (4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents 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 collagenase-3 (matrix metalloprotease-13). | J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human)) | BDBM50082555![]() (4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.07E+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 matrilysin (matrix metalloprotease-7). | J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50082555![]() (4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 15 | 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 7 (Homo sapiens (Human)) | BDBM50082555![]() (4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.03E+3 | 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)) | BDBM50082555![]() (4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 62 | 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 | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50082555![]() (4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | 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 MMP13 (unknown origin) expressed in Escherichia coli BL21(DE3) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate after 20 to 30 mi... | 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)) | BDBM50082555![]() (4-(4-Methoxy-benzenesulfonyl)-thiomorpholine-3-car...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 62 | 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 truncated collagenase-1 (matrix metalloprotease-1). | J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32 | |||||||||||
More data for this Ligand-Target Pair |