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BDBM50104005 1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL104446

SMILES: COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO

InChI Key: InChIKey=BMPCLJPYXFVWKY-ARLHGKGLSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50104005   
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))
BDBM50104005
PNG
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/m1/s1
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Article
PubMed
n/an/a 138n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


J Med Chem 44: 3074-82 (2001)


Article DOI: 10.1021/jm010096n
BindingDB Entry DOI: 10.7270/Q2416WBQ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50104005
PNG
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/m1/s1
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PubMed
n/an/a 293n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3


J Med Chem 44: 3074-82 (2001)


Article DOI: 10.1021/jm010096n
BindingDB Entry DOI: 10.7270/Q2416WBQ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50104005
PNG
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/m1/s1
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n/an/a 2.52E+4n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-1


J Med Chem 44: 3074-82 (2001)


Article DOI: 10.1021/jm010096n
BindingDB Entry DOI: 10.7270/Q2416WBQ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50104005
PNG
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/m1/s1
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PubMed
n/an/a 441n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


J Med Chem 44: 3074-82 (2001)


Article DOI: 10.1021/jm010096n
BindingDB Entry DOI: 10.7270/Q2416WBQ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50104005
PNG
(1-(4-Methoxy-benzenesulfonyl)-4,4-dimethyl-3-vinyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(C)(C)C(C=C)[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H22N2O5S/c1-5-13-14(15(19)17-20)18(10-16(13,2)3)24(21,22)12-8-6-11(23-4)7-9-12/h5-9,13-14,20H,1,10H2,2-4H3,(H,17,19)/t13?,14-/m1/s1
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Article
PubMed
n/an/a 519n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


J Med Chem 44: 3074-82 (2001)


Article DOI: 10.1021/jm010096n
BindingDB Entry DOI: 10.7270/Q2416WBQ
More data for this
Ligand-Target Pair