BindingDB PrimarySearch

BDBM50171543 4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide::4-(4-But-2-ynyloxy-benzenesulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid hydroxyamide::CHEMBL382975

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)C1C(=O)NO

InChI Key: InChIKey=CVZIHNYAZLXRRS-UHFFFAOYSA-N

Data: 11 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50171543
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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against matrix metallopeptidase 9				Bioorg Med Chem Lett 15: 4345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.072 BindingDB Entry DOI: 10.7270/Q2WH2PHM
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against matrix metallopeptidase 1				Bioorg Med Chem Lett 15: 4345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.072 BindingDB Entry DOI: 10.7270/Q2WH2PHM
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against TACE[ADAM metallopeptidase domain 17] in isolated enzyme assay				Bioorg Med Chem Lett 15: 4345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.072 BindingDB Entry DOI: 10.7270/Q2WH2PHM
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against matrix metallopeptidase 13				Bioorg Med Chem Lett 15: 4345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.072 BindingDB Entry DOI: 10.7270/Q2WH2PHM
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP9				Bioorg Med Chem Lett 17: 34-9 (2006) Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of TACE in human whole blood assay				Bioorg Med Chem Lett 17: 34-9 (2006) Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against matrix metallopeptidase 13				Bioorg Med Chem Lett 15: 4345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.072 BindingDB Entry DOI: 10.7270/Q2WH2PHM
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against TACE[ADAM metallopeptidase domain 17] in isolated enzyme assay				Bioorg Med Chem Lett 15: 4345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.072 BindingDB Entry DOI: 10.7270/Q2WH2PHM
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 34-9 (2006) Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	201	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem Lett 17: 34-9 (2006) Article DOI: 10.1016/j.bmcl.2006.10.004 BindingDB Entry DOI: 10.7270/Q2862G2M
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50171543 (4-(4-(but-2-ynyloxy)phenylsulfonyl)-N-hydroxy-2,2-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory activity against matrix metallopeptidase 1				Bioorg Med Chem Lett 15: 4345-9 (2005) Article DOI: 10.1016/j.bmcl.2005.06.072 BindingDB Entry DOI: 10.7270/Q2WH2PHM
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair