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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'espahbodi' and Initial = 'm'   
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
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
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50388914
PNG
(CHEMBL2063274 | US10357546, p-OH SB-3CT)
Show SMILES Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H14O4S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14,16H,9-10H2
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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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13.9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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
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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37n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50388911
PNG
(CHEMBL2063270)
Show SMILES Fc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H13FO3S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
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44n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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))
BDBM50388911
PNG
(CHEMBL2063270)
Show SMILES Fc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H13FO3S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
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61n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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))
BDBM50388912
PNG
(CHEMBL2063273)
Show SMILES OCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H16O4S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15,17H,9-11H2
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78n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50388914
PNG
(CHEMBL2063274 | US10357546, p-OH SB-3CT)
Show SMILES Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H14O4S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14,16H,9-10H2
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50388917
PNG
(CHEMBL2063277)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H13F3O4S2/c17-16(18,19)23-13-3-1-11(2-4-13)22-12-5-7-15(8-6-12)25(20,21)10-14-9-24-14/h1-8,14H,9-10H2
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110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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))
BDBM50388916
PNG
(CHEMBL2063276)
Show SMILES COCOc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H18O5S2/c1-20-12-21-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(18,19)11-16-10-23-16/h2-9,16H,10-12H2,1H3
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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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145n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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-9


(Homo sapiens (Human))
BDBM50388914
PNG
(CHEMBL2063274 | US10357546, p-OH SB-3CT)
Show SMILES Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H14O4S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14,16H,9-10H2
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50388916
PNG
(CHEMBL2063276)
Show SMILES COCOc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H18O5S2/c1-20-12-21-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(18,19)11-16-10-23-16/h2-9,16H,10-12H2,1H3
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50388916
PNG
(CHEMBL2063276)
Show SMILES COCOc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H18O5S2/c1-20-12-21-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(18,19)11-16-10-23-16/h2-9,16H,10-12H2,1H3
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50388910
PNG
(CHEMBL2063271)
Show SMILES Fc1cccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)c1
Show InChI InChI=1S/C15H13FO3S2/c16-11-2-1-3-13(8-11)19-12-4-6-15(7-5-12)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50388912
PNG
(CHEMBL2063273)
Show SMILES OCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H16O4S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15,17H,9-11H2
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215n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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-14


(Homo sapiens (Human))
BDBM50388915
PNG
(CHEMBL2063275)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H20O4S2/c1-13(2)21-14-3-5-15(6-4-14)22-16-7-9-18(10-8-16)24(19,20)12-17-11-23-17/h3-10,13,17H,11-12H2,1-2H3
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280n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50388913
PNG
(CHEMBL2063272)
Show SMILES Ic1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H13IO3S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
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290n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50388915
PNG
(CHEMBL2063275)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H20O4S2/c1-13(2)21-14-3-5-15(6-4-14)22-16-7-9-18(10-8-16)24(19,20)12-17-11-23-17/h3-10,13,17H,11-12H2,1-2H3
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300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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-9


(Homo sapiens (Human))
BDBM50388912
PNG
(CHEMBL2063273)
Show SMILES OCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H16O4S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15,17H,9-11H2
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390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50388910
PNG
(CHEMBL2063271)
Show SMILES Fc1cccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)c1
Show InChI InChI=1S/C15H13FO3S2/c16-11-2-1-3-13(8-11)19-12-4-6-15(7-5-12)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
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450n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50388915
PNG
(CHEMBL2063275)
Show SMILES CC(C)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H20O4S2/c1-13(2)21-14-3-5-15(6-4-14)22-16-7-9-18(10-8-16)24(19,20)12-17-11-23-17/h3-10,13,17H,11-12H2,1-2H3
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470n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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
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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575n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP3 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50388911
PNG
(CHEMBL2063270)
Show SMILES Fc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H13FO3S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
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580n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP14 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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-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
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
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50388913
PNG
(CHEMBL2063272)
Show SMILES Ic1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H13IO3S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14H,9-10H2
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600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP2 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
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))
BDBM50388917
PNG
(CHEMBL2063277)
Show SMILES FC(F)(F)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H13F3O4S2/c17-16(18,19)23-13-3-1-11(2-4-13)22-12-5-7-15(8-6-12)25(20,21)10-14-9-24-14/h1-8,14H,9-10H2
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930n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP9 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50388914
PNG
(CHEMBL2063274 | US10357546, p-OH SB-3CT)
Show SMILES Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H14O4S2/c16-11-1-3-12(4-2-11)19-13-5-7-15(8-6-13)21(17,18)10-14-9-20-14/h1-8,14,16H,9-10H2
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP3 using fluorogenic substrate by Dixon plot analysis


ACS Med Chem Lett 3: 490-495 (2012)


Article DOI: 10.1021/ml300050b
BindingDB Entry DOI: 10.7270/Q2T43V4Q
More data for this
Ligand-Target Pair
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