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BDBM50156721 2-{[4-(2-butynyloxy)phenyl]sulfanyl}-N-hydroxy-2-(4-methoxyphenyl)acetamide::CHEMBL373438

SMILES: COc1ccc(cc1)C(Sc1ccc(OCC#CC)cc1)C(=O)NO

InChI Key: InChIKey=VEMPUXZNKSUVFD-UHFFFAOYSA-N

Data: 4 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50156721   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50156721
PNG
(2-{[4-(2-butynyloxy)phenyl]sulfanyl}-N-hydroxy-2-(...)
Show SMILES COc1ccc(cc1)C(Sc1ccc(OCC#CC)cc1)C(=O)NO
Show InChI InChI=1S/C19H19NO4S/c1-3-4-13-24-16-9-11-17(12-10-16)25-18(19(21)20-22)14-5-7-15(23-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 47: 6255-69 (2004)


Article DOI: 10.1021/jm040086x
BindingDB Entry DOI: 10.7270/Q21J9985
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50156721
PNG
(2-{[4-(2-butynyloxy)phenyl]sulfanyl}-N-hydroxy-2-(...)
Show SMILES COc1ccc(cc1)C(Sc1ccc(OCC#CC)cc1)C(=O)NO
Show InChI InChI=1S/C19H19NO4S/c1-3-4-13-24-16-9-11-17(12-10-16)25-18(19(21)20-22)14-5-7-15(23-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21)
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Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of TACE


J Med Chem 47: 6255-69 (2004)


Article DOI: 10.1021/jm040086x
BindingDB Entry DOI: 10.7270/Q21J9985
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50156721
PNG
(2-{[4-(2-butynyloxy)phenyl]sulfanyl}-N-hydroxy-2-(...)
Show SMILES COc1ccc(cc1)C(Sc1ccc(OCC#CC)cc1)C(=O)NO
Show InChI InChI=1S/C19H19NO4S/c1-3-4-13-24-16-9-11-17(12-10-16)25-18(19(21)20-22)14-5-7-15(23-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 47: 6255-69 (2004)


Article DOI: 10.1021/jm040086x
BindingDB Entry DOI: 10.7270/Q21J9985
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50156721
PNG
(2-{[4-(2-butynyloxy)phenyl]sulfanyl}-N-hydroxy-2-(...)
Show SMILES COc1ccc(cc1)C(Sc1ccc(OCC#CC)cc1)C(=O)NO
Show InChI InChI=1S/C19H19NO4S/c1-3-4-13-24-16-9-11-17(12-10-16)25-18(19(21)20-22)14-5-7-15(23-2)8-6-14/h5-12,18,22H,13H2,1-2H3,(H,20,21)
PDB
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 47: 6255-69 (2004)


Article DOI: 10.1021/jm040086x
BindingDB Entry DOI: 10.7270/Q21J9985
More data for this
Ligand-Target Pair