BindingDB PrimarySearch

BDBM23498 (3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide::CHEMBL207729::TMI-1

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)NO

InChI Key: InChIKey=CVZIHNYAZLXRRS-HNNXBMFYSA-N

Data: 18 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 23498
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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				J Pharmacol Exp Ther 309: 348-55 (2004) Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD
Wyeth Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem 17: 444-59 (2009) Article DOI: 10.1016/j.bmc.2008.11.067 BindingDB Entry DOI: 10.7270/Q2WH2QWZ
The M. S. University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				J Pharmacol Exp Ther 309: 348-55 (2004) Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD
Wyeth Research					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				J Pharmacol Exp Ther 309: 348-55 (2004) Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD
Wyeth Research					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				J Pharmacol Exp Ther 309: 348-55 (2004) Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD
Wyeth Research					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				J Pharmacol Exp Ther 309: 348-55 (2004) Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD
Wyeth Research					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				J Pharmacol Exp Ther 309: 348-55 (2004) Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD
Wyeth Research					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	37
Wyeth Research					Assay Description The recombinant Agg-1 proteins pretreated with the various concentrations of the compound for 10 to 15 min. The reaction was initiated by addition of...				J Pharmacol Exp Ther 309: 348-55 (2004) Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD
Wyeth Research					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description Compounds were tested for their ability to inhibit the cleavage of the substrate by the purified enzyme in a fluorescence-based fluorescence resonanc...				Bioorg Med Chem 15: 6170-81 (2007) Article DOI: 10.1016/j.bmc.2007.06.031 BindingDB Entry DOI: 10.7270/Q2FJ2F3N
Wyeth Research					More data for this Ligand-Target Pair				3D Structure (crystal)
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem 15: 6170-81 (2007) Article DOI: 10.1016/j.bmc.2007.06.031 BindingDB Entry DOI: 10.7270/Q2FJ2F3N
Wyeth Research					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	25
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				Bioorg Med Chem 15: 6170-81 (2007) Article DOI: 10.1016/j.bmc.2007.06.031 BindingDB Entry DOI: 10.7270/Q2FJ2F3N
Wyeth Research					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents 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 Inhibition of MMP1				Bioorg Med Chem Lett 16: 1605-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.020 BindingDB Entry DOI: 10.7270/Q2GF0T3Q
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB 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 Inhibition of TACE				Bioorg Med Chem Lett 16: 1605-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.020 BindingDB Entry DOI: 10.7270/Q2GF0T3Q
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Collagenase 3 (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents 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 Inhibition of MMP13				Bioorg Med Chem Lett 16: 1605-9 (2006) Article DOI: 10.1016/j.bmcl.2005.12.020 BindingDB Entry DOI: 10.7270/Q2GF0T3Q
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem 17: 444-59 (2009) Article DOI: 10.1016/j.bmc.2008.11.067 BindingDB Entry DOI: 10.7270/Q2WH2QWZ
The M. S. University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Interstitial collagenase (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 17: 444-59 (2009) Article DOI: 10.1016/j.bmc.2008.11.067 BindingDB Entry DOI: 10.7270/Q2WH2QWZ
The M. S. University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL					Assay Description Inhibition of MMP2				Bioorg Med Chem 17: 444-59 (2009) Article DOI: 10.1016/j.bmc.2008.11.067 BindingDB Entry DOI: 10.7270/Q2WH2QWZ
The M. S. University of Baroda Curated by ChEMBL					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM23498 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.4	22
Wyeth Research					Assay Description A continuous assay was used in which the substrate is a synthetic peptide containing a fluorescent group (7-methoxycoumarin), which is quenched by en...				J Pharmacol Exp Ther 309: 348-55 (2004) Article DOI: 10.1124/jpet.103.059675 BindingDB Entry DOI: 10.7270/Q2K935VD
Wyeth Research					More data for this Ligand-Target Pair