BindingDB PrimarySearch

BDBM50106025 (S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-benzenesulfonyl]-thiomorpholine-3-carboxylic acid hydroxyamide::(S)-N-hydroxy-2,2-dimethyl-4-(4-(3,4,5-trimethoxyphenoxy)phenylsulfonyl)thiomorpholine-3-carboxamide::CHEMBL95305

SMILES: COc1cc(Oc2ccc(cc2)S(=O)(=O)N2CCSC(C)(C)[C@@H]2C(=O)NO)cc(OC)c1OC

InChI Key: InChIKey=DCDJWNFOPNVBIM-FQEVSTJZSA-N

Data: 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50106025
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Interstitial collagenase (Homo sapiens (Human))	BDBM50106025 ((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...) Show SMILES Show InChI	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 2907-10 (2001) BindingDB Entry DOI: 10.7270/Q2C828MX
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50106025 ((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition against Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 2907-10 (2001) BindingDB Entry DOI: 10.7270/Q2C828MX
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106025 ((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against Tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 11: 2907-10 (2001) BindingDB Entry DOI: 10.7270/Q2C828MX
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106025 ((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of TACE (unknown origin)				Bioorg Med Chem Lett 27: 1848-1853 (2017) Article DOI: 10.1016/j.bmcl.2017.02.035 BindingDB Entry DOI: 10.7270/Q28S4S59
Nestl� Skin Health R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106025 ((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of TACE (unknown origin)				Bioorg Med Chem Lett 27: 1848-1853 (2017) Article DOI: 10.1016/j.bmcl.2017.02.035 BindingDB Entry DOI: 10.7270/Q28S4S59
Nestl� Skin Health R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106025 ((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of TACE (unknown origin) by cell based assay				Bioorg Med Chem Lett 27: 1848-1853 (2017) Article DOI: 10.1016/j.bmcl.2017.02.035 BindingDB Entry DOI: 10.7270/Q28S4S59
Nestl� Skin Health R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106025 ((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
Nestl� Skin Health R&D Curated by ChEMBL					Assay Description Inhibition of TACE (unknown origin) by cell based assay				Bioorg Med Chem Lett 27: 1848-1853 (2017) Article DOI: 10.1016/j.bmcl.2017.02.035 BindingDB Entry DOI: 10.7270/Q28S4S59
Nestl� Skin Health R&D Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106025 ((S)-2,2-Dimethyl-4-[4-(3,4,5-trimethoxy-phenoxy)-b...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit the release of tumor necrosis factor -alpha (TNF-alpha) in THP-1 cellular assay.				Bioorg Med Chem Lett 11: 2907-10 (2001) BindingDB Entry DOI: 10.7270/Q2C828MX
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair