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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'forbes' and Initial = 'c'   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM82122
PNG
(Vinylsulfone, 7)
Show SMILES SC\C=C\S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14O3S2/c16-20(17,12-4-11-19)15-9-7-14(8-10-15)18-13-5-2-1-3-6-13/h1-10,12,19H,11H2/b12-4+
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0.530n/an/an/an/an/an/an/an/a



University of Notre Dame



Assay Description
Inhibition assay using matrix metalloproteinase (MMP-2).


Chem Biol Drug Des 74: 527-34 (2009)

Checked by Author
Article DOI: 10.1111/j.1747-0285.2009.00881.x
BindingDB Entry DOI: 10.7270/Q20P0XJV
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))
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
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))
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))
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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64n/an/an/an/an/an/an/an/a



University of Notre Dame



Assay Description
Inhibition assay using matrix metalloproteinase (MMP-2).


Chem Biol Drug Des 74: 527-34 (2009)

Checked by Author
Article DOI: 10.1111/j.1747-0285.2009.00881.x
BindingDB Entry DOI: 10.7270/Q20P0XJV
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))
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))
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-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
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
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))
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
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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320n/an/an/an/an/an/an/an/a



University of Notre Dame



Assay Description
Inhibition assay using matrix metalloproteinase (MMP-2).


Chem Biol Drug Des 74: 527-34 (2009)

Checked by Author
Article DOI: 10.1111/j.1747-0285.2009.00881.x
BindingDB Entry DOI: 10.7270/Q20P0XJV
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
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
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-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
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM82121
PNG
(Gama, gama-dimethyl derivative, 6)
Show SMILES CC1(C)SC1CS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H18O3S2/c1-17(2)16(21-17)12-22(18,19)15-10-8-14(9-11-15)20-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3
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1.40E+3n/an/an/an/an/an/an/an/a



University of Notre Dame



Assay Description
Inhibition assay using matrix metalloproteinase (MMP-2).


Chem Biol Drug Des 74: 527-34 (2009)

Checked by Author
Article DOI: 10.1111/j.1747-0285.2009.00881.x
BindingDB Entry DOI: 10.7270/Q20P0XJV
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM82119
PNG
(Sulfoxide, 4)
Show SMILES O=S(CC1CS1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H14O2S2/c16-19(11-14-10-18-14)15-8-6-13(7-9-15)17-12-4-2-1-3-5-12/h1-9,14H,10-11H2
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2.10E+3n/an/an/an/an/an/an/an/a



University of Notre Dame



Assay Description
Inhibition assay using matrix metalloproteinase (MMP-2).


Chem Biol Drug Des 74: 527-34 (2009)

Checked by Author
Article DOI: 10.1111/j.1747-0285.2009.00881.x
BindingDB Entry DOI: 10.7270/Q20P0XJV
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
Matrix metalloproteinase-9


(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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3.00E+3n/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))
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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4.10E+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
Matrix metalloproteinase-14


(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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5.08E+3n/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))
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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1.20E+4n/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
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
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
Stromelysin-1


(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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1.70E+4n/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
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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1.82E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP7 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))
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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2.70E+4n/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
Matrilysin


(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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3.10E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP7 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))
BDBM82120
PNG
(Alpha, alpha-dimethyl derivative, 5)
Show SMILES CC(C)(C1CS1)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C17H18O3S2/c1-17(2,16-12-21-16)22(18,19)15-10-8-14(9-11-15)20-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3
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>4.00E+4n/an/an/an/an/an/an/an/a



University of Notre Dame



Assay Description
Inhibition assay using matrix metalloproteinase (MMP-2).


Chem Biol Drug Des 74: 527-34 (2009)

Checked by Author
Article DOI: 10.1111/j.1747-0285.2009.00881.x
BindingDB Entry DOI: 10.7270/Q20P0XJV
More data for this
Ligand-Target Pair
Matrilysin


(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
PDB
MMDB

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PubMed
4.85E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP7 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
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
PDB
MMDB

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PubMed
9.60E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP7 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
Interstitial 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
PDB
MMDB

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PubMed
1.28E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP1 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
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
PDB
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PubMed
1.40E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP1 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
Interstitial 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
PDB
MMDB

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PubMed
2.05E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP1 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
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
PDB
MMDB

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Article
PubMed
2.06E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibition of human MMP1 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