Molecular Structure for 23498

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

Data: 18 IC50

PDB links: 1 PDB IDs match this monomer. 1 PDB IDs contain this monomer as substructures. 1 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Vconf -m prep

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CHEBI
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PubChem sid

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits in this search
Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	pH	Temp °C
Matrix Metalloproteinase-2 (MMP-2) Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	GoogleScholar	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	4.7	n/a	n/a	7.4	22
Wyeth Research		GoogleScholar	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	Bioorg Med Chem. 15: 6170-81 (2007)
Matrix Metalloproteinase-13 (MMP-13) Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	2.4	n/a	n/a	7.4	22
Wyeth Research		B.MOAD GoogleScholar MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	Bioorg Med Chem. 15: 6170-81 (2007)
TNF-alpha-Converting Enzyme Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	n/a	n/a	8.4	n/a	n/a	7.4	22
Wyeth Research			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	J Pharmacol Exp Ther. 309: 348-55 (2004)
Matrix Metalloproteinase-1 (MMP-1) Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	6.6	n/a	n/a	7.4	22
Wyeth Research		B.MOAD GoogleScholar MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Pharmacol Exp Ther. 309: 348-55 (2004)
Matrix Metalloproteinase-2 (MMP-2) Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	GoogleScholar	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	4.7	n/a	n/a	7.4	22
Wyeth Research		GoogleScholar	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Pharmacol Exp Ther. 309: 348-55 (2004)
Matrix Metalloproteinase-7 (MMP-7) Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	26.0	n/a	n/a	7.4	22
Wyeth Research			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Pharmacol Exp Ther. 309: 348-55 (2004)
Matrix Metalloproteinase-9 (MMP-9) Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar MMDB PDB	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	12.0	n/a	n/a	7.4	22
Wyeth Research		B.MOAD GoogleScholar MMDB PDB	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Pharmacol Exp Ther. 309: 348-55 (2004)
Matrix Metalloproteinase-13 (MMP-13) Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	3.0	n/a	n/a	7.4	22
Wyeth Research		B.MOAD GoogleScholar MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Pharmacol Exp Ther. 309: 348-55 (2004)
Matrix Metalloproteinase-14 (MMP-14) Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	26.0	n/a	n/a	7.4	22
Wyeth Research			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Pharmacol Exp Ther. 309: 348-55 (2004)
ADAMTS-4 (Aggrecanase-1) Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	100.0	n/a	n/a	7.5	37
Wyeth Research			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	J Pharmacol Exp Ther. 309: 348-55 (2004)
TNF-alpha-Converting Enzyme Homo sapiens (human)	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	n/a	n/a	8.0	n/a	n/a	7.4	22
Wyeth Research			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	Bioorg Med Chem. 15: 6170-81 (2007)
Matrix metalloproteinase-1 Homo sapiens	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	7.0	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL		B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	Bioorg Med Chem Lett. 16: 1605-9 (2006)
Tumor Necrosis Factor Alpha Converting Enzyme Homo sapiens	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	n/a	n/a	8.0	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL		B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	Bioorg Med Chem Lett. 16: 1605-9 (2006)
Matrix Metalloproteinase-13 (MMP-13) Homo sapiens	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	3.0	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	Bioorg Med Chem Lett. 16: 1605-9 (2006)
Tumor Necrosis Factor Alpha Converting Enzyme Homo sapiens	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	n/a	n/a	8.4	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL		B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	B.MOAD MMDB PDB PubMed	Bioorg Med Chem. 17: 444-59 (2009)
Matrix metalloproteinase-1 Homo sapiens	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	6.6	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL		B.MOAD GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	Bioorg Med Chem. 17: 444-59 (2009)
Matrix metalloproteinase-2 Homo sapiens	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	DrugBank GoogleScholar MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	4.7	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	Bioorg Med Chem. 17: 444-59 (2009)
Matrix Metalloproteinase-13 (MMP-13) Homo sapiens	TMI-1 ((3S)-4-{[4-(but-2-yn-1-yloxy)benzene]sulfonyl}-N-h...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	n/a	n/a	3.0	n/a	n/a	n/a	n/a
The M. S. University of Baroda Curated by ChEMBL			B.MOAD CHEBI CSLS MMDB PC cid PC sid PDB	PubMed	Bioorg Med Chem. 17: 444-59 (2009)