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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'staran' and Initial = 'rt'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50335495
PNG
(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...)
Show SMILES CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H16O6S3/c1-24(17,18)22-14-4-2-12(3-5-14)21-13-6-8-16(9-7-13)25(19,20)11-15-10-23-15/h2-9,15H,10-11H2,1H3
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50264809
PNG
(2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...)
Show SMILES O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335495
PNG
(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...)
Show SMILES CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H16O6S3/c1-24(17,18)22-14-4-2-12(3-5-14)21-13-6-8-16(9-7-13)25(19,20)11-15-10-23-15/h2-9,15H,10-11H2,1H3
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335498
PNG
(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl ...)
Show SMILES CCCS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H20O6S3/c1-2-11-27(21,22)24-16-5-3-14(4-6-16)23-15-7-9-18(10-8-15)26(19,20)13-17-12-25-17/h3-10,17H,2,11-13H2,1H3
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34n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335499
PNG
(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl ...)
Show SMILES CC(C)CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C19H22O6S3/c1-14(2)12-28(22,23)25-17-5-3-15(4-6-17)24-16-7-9-19(10-8-16)27(20,21)13-18-11-26-18/h3-10,14,18H,11-13H2,1-2H3
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61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335497
PNG
(4-(4-(Thiiranylmethylsulfonyl)phenoxy)-phenylethan...)
Show SMILES CCS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H18O6S3/c1-2-26(20,21)23-15-5-3-13(4-6-15)22-14-7-9-17(10-8-14)25(18,19)12-16-11-24-16/h3-10,16H,2,11-12H2,1H3
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70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335500
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl ethanesulfona...)
Show SMILES CCS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C11H14O5S3/c1-2-19(14,15)16-9-3-5-11(6-4-9)18(12,13)8-10-7-17-10/h3-6,10H,2,7-8H2,1H3
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50264809
PNG
(2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...)
Show SMILES O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50335495
PNG
(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...)
Show SMILES CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H16O6S3/c1-24(17,18)22-14-4-2-12(3-5-14)21-13-6-8-16(9-7-13)25(19,20)11-15-10-23-15/h2-9,15H,10-11H2,1H3
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50335498
PNG
(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl ...)
Show SMILES CCCS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H20O6S3/c1-2-11-27(21,22)24-16-5-3-14(4-6-16)23-15-7-9-18(10-8-15)26(19,20)13-17-12-25-17/h3-10,17H,2,11-13H2,1H3
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335502
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl propane-2-sul...)
Show SMILES CC(C)CS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C13H18O5S3/c1-10(2)8-21(16,17)18-11-3-5-13(6-4-11)20(14,15)9-12-7-19-12/h3-6,10,12H,7-9H2,1-2H3
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335501
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl propane-1-sul...)
Show SMILES CCCS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C12H16O5S3/c1-2-7-20(15,16)17-10-3-5-12(6-4-10)19(13,14)9-11-8-18-11/h3-6,11H,2,7-9H2,1H3
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50335497
PNG
(4-(4-(Thiiranylmethylsulfonyl)phenoxy)-phenylethan...)
Show SMILES CCS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H18O6S3/c1-2-26(20,21)23-15-5-3-13(4-6-15)22-14-7-9-17(10-8-14)25(18,19)12-16-11-24-16/h3-10,16H,2,11-12H2,1H3
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330n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50335497
PNG
(4-(4-(Thiiranylmethylsulfonyl)phenoxy)-phenylethan...)
Show SMILES CCS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H18O6S3/c1-2-26(20,21)23-15-5-3-13(4-6-15)22-14-7-9-17(10-8-14)25(18,19)12-16-11-24-16/h3-10,16H,2,11-12H2,1H3
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360n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50335499
PNG
(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl ...)
Show SMILES CC(C)CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C19H22O6S3/c1-14(2)12-28(22,23)25-17-5-3-15(4-6-17)24-16-7-9-19(10-8-16)27(20,21)13-18-11-26-18/h3-10,14,18H,11-13H2,1-2H3
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380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50335496
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl methanesulfon...)
Show SMILES CS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C10H12O5S3/c1-17(11,12)15-8-2-4-10(5-3-8)18(13,14)7-9-6-16-9/h2-5,9H,6-7H2,1H3
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390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50335496
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl methanesulfon...)
Show SMILES CS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C10H12O5S3/c1-17(11,12)15-8-2-4-10(5-3-8)18(13,14)7-9-6-16-9/h2-5,9H,6-7H2,1H3
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480n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50335498
PNG
(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl ...)
Show SMILES CCCS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H20O6S3/c1-2-11-27(21,22)24-16-5-3-14(4-6-16)23-15-7-9-18(10-8-15)26(19,20)13-17-12-25-17/h3-10,17H,2,11-13H2,1H3
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520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50264809
PNG
(2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...)
Show SMILES O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50335495
PNG
(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...)
Show SMILES CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H16O6S3/c1-24(17,18)22-14-4-2-12(3-5-14)21-13-6-8-16(9-7-13)25(19,20)11-15-10-23-15/h2-9,15H,10-11H2,1H3
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50335499
PNG
(4-(4-((Thiiran-2-ylmethyl)sulfonyl)phenoxy)phenyl ...)
Show SMILES CC(C)CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C19H22O6S3/c1-14(2)12-28(22,23)25-17-5-3-15(4-6-17)24-16-7-9-19(10-8-16)27(20,21)13-18-11-26-18/h3-10,14,18H,11-13H2,1-2H3
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790n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50335502
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl propane-2-sul...)
Show SMILES CC(C)CS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C13H18O5S3/c1-10(2)8-21(16,17)18-11-3-5-13(6-4-11)20(14,15)9-12-7-19-12/h3-6,10,12H,7-9H2,1-2H3
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50335496
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl methanesulfon...)
Show SMILES CS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C10H12O5S3/c1-17(11,12)15-8-2-4-10(5-3-8)18(13,14)7-9-6-16-9/h2-5,9H,6-7H2,1H3
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3.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50335501
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl propane-1-sul...)
Show SMILES CCCS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C12H16O5S3/c1-2-7-20(15,16)17-10-3-5-12(6-4-10)19(13,14)9-11-8-18-11/h3-6,11H,2,7-9H2,1H3
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6.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50335500
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl ethanesulfona...)
Show SMILES CCS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C11H14O5S3/c1-2-19(14,15)16-9-3-5-11(6-4-9)18(12,13)8-10-7-17-10/h3-6,10H,2,7-8H2,1H3
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1.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50335496
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl methanesulfon...)
Show SMILES CS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C10H12O5S3/c1-17(11,12)15-8-2-4-10(5-3-8)18(13,14)7-9-6-16-9/h2-5,9H,6-7H2,1H3
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1.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50335500
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl ethanesulfona...)
Show SMILES CCS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C11H14O5S3/c1-2-19(14,15)16-9-3-5-11(6-4-9)18(12,13)8-10-7-17-10/h3-6,10H,2,7-8H2,1H3
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50264809
PNG
(2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...)
Show SMILES O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2
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1.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50335495
PNG
(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...)
Show SMILES CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H16O6S3/c1-24(17,18)22-14-4-2-12(3-5-14)21-13-6-8-16(9-7-13)25(19,20)11-15-10-23-15/h2-9,15H,10-11H2,1H3
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1.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50335502
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl propane-2-sul...)
Show SMILES CC(C)CS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C13H18O5S3/c1-10(2)8-21(16,17)18-11-3-5-13(6-4-11)20(14,15)9-12-7-19-12/h3-6,10,12H,7-9H2,1-2H3
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2.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50335500
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl ethanesulfona...)
Show SMILES CCS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C11H14O5S3/c1-2-19(14,15)16-9-3-5-11(6-4-9)18(12,13)8-10-7-17-10/h3-6,10H,2,7-8H2,1H3
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2.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50335501
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl propane-1-sul...)
Show SMILES CCCS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C12H16O5S3/c1-2-7-20(15,16)17-10-3-5-12(6-4-10)19(13,14)9-11-8-18-11/h3-6,11H,2,7-9H2,1H3
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3.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50335501
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl propane-1-sul...)
Show SMILES CCCS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C12H16O5S3/c1-2-7-20(15,16)17-10-3-5-12(6-4-10)19(13,14)9-11-8-18-11/h3-6,11H,2,7-9H2,1H3
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3.50E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50335496
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl methanesulfon...)
Show SMILES CS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C10H12O5S3/c1-17(11,12)15-8-2-4-10(5-3-8)18(13,14)7-9-6-16-9/h2-5,9H,6-7H2,1H3
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4.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50264809
PNG
(2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...)
Show SMILES O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2
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9.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50335502
PNG
(4-(Thiiran-2-ylmethylsulfonyl)phenyl propane-2-sul...)
Show SMILES CC(C)CS(=O)(=O)Oc1ccc(cc1)S(=O)(=O)CC1CS1
Show InChI InChI=1S/C13H18O5S3/c1-10(2)8-21(16,17)18-11-3-5-13(6-4-11)20(14,15)9-12-7-19-12/h3-6,10,12H,7-9H2,1-2H3
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1.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50335495
PNG
(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl me...)
Show SMILES CS(=O)(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H16O6S3/c1-24(17,18)22-14-4-2-12(3-5-14)21-13-6-8-16(9-7-13)25(19,20)11-15-10-23-15/h2-9,15H,10-11H2,1H3
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1.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50264809
PNG
(2-((4-phenoxyphenylsulfonyl)methyl)thiirane | CHEM...)
Show SMILES O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2
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2.06E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 catalytic domain by substrate hydrolysis based fluorescence spectrophotometry


ACS Med Chem Lett 2: 177-181 (2011)


Article DOI: 10.1021/ml100254e
BindingDB Entry DOI: 10.7270/Q2N29X6G
More data for this
Ligand-Target Pair