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Patent code US10357546

Compile Data Set for Download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
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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US Patent
5n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM408486
PNG
(US10357546, ND-3640)
Show SMILES NC(=N)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H17N3O3S2/c17-16(18)19-11-1-3-12(4-2-11)22-13-5-7-15(8-6-13)24(20,21)10-14-9-23-14/h1-8,14H,9-10H2,(H4,17,18,19)
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93n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50264811
PNG
(CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)
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130n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM389618
PNG
(US10357546, ND-336 | US9951035, ND-336 (5))
Show SMILES NCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H17NO3S2/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/h1-8,15H,9-11,17H2
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150n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
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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160n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50442356
PNG
(CHEMBL2442885 | US10357546, ND-380 | US9951035, ND...)
Show SMILES COC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H17NO5S2/c1-22-17(19)18-12-2-4-13(5-3-12)23-14-6-8-16(9-7-14)25(20,21)11-15-10-24-15/h2-9,15H,10-11H2,1H3,(H,18,19)
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180n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
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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400n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50354624
PNG
(CHEMBL1834422 | US10357546, ND-322 | US9951035, ND...)
Show SMILES Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H15NO3S2/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,9-10,16H2
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400n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM408486
PNG
(US10357546, ND-3640)
Show SMILES NC(=N)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H17N3O3S2/c17-16(18)19-11-1-3-12(4-2-11)22-13-5-7-15(8-6-13)24(20,21)10-14-9-23-14/h1-8,14H,9-10H2,(H4,17,18,19)
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730n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50442355
PNG
(CHEMBL2442886 | US10357546, ND-394)
Show SMILES CCOC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H19NO5S2/c1-2-23-18(20)19-13-3-5-14(6-4-13)24-15-7-9-17(10-8-15)26(21,22)12-16-11-25-16/h3-10,16H,2,11-12H2,1H3,(H,19,20)
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860n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50442363
PNG
(CHEMBL2442890 | US10357546, ND-395)
Show SMILES CCOC(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H18O6S2/c1-2-22-18(19)24-15-5-3-13(4-6-15)23-14-7-9-17(10-8-14)26(20,21)12-16-11-25-16/h3-10,16H,2,11-12H2,1H3
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930n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
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+3n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
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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2.10E+3n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
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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2.60E+3n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50354624
PNG
(CHEMBL1834422 | US10357546, ND-322 | US9951035, ND...)
Show SMILES Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C15H15NO3S2/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,9-10,16H2
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2.60E+3n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50264811
PNG
(CHEMBL485492 | N-(4-(4-(thiiran-2-ylmethylsulfonyl...)
Show SMILES CC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H17NO4S2/c1-12(19)18-13-2-4-14(5-3-13)22-15-6-8-17(9-7-15)24(20,21)11-16-10-23-16/h2-9,16H,10-11H2,1H3,(H,18,19)
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3.40E+3n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM389618
PNG
(US10357546, ND-336 | US9951035, ND-336 (5))
Show SMILES NCc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C16H17NO3S2/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/h1-8,15H,9-11,17H2
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7.70E+3n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50442363
PNG
(CHEMBL2442890 | US10357546, ND-395)
Show SMILES CCOC(=O)Oc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H18O6S2/c1-2-22-18(19)24-15-5-3-13(4-6-15)23-14-7-9-17(10-8-14)26(20,21)12-16-11-25-16/h3-10,16H,2,11-12H2,1H3
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1.10E+4n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50442356
PNG
(CHEMBL2442885 | US10357546, ND-380 | US9951035, ND...)
Show SMILES COC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C17H17NO5S2/c1-22-17(19)18-12-2-4-13(5-3-12)23-14-6-8-16(9-7-14)25(20,21)11-15-10-24-15/h2-9,15H,10-11H2,1H3,(H,18,19)
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1.30E+4n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50442355
PNG
(CHEMBL2442886 | US10357546, ND-394)
Show SMILES CCOC(=O)Nc1ccc(Oc2ccc(cc2)S(=O)(=O)CC2CS2)cc1
Show InChI InChI=1S/C18H19NO5S2/c1-2-23-18(20)19-13-3-5-14(6-4-13)24-15-7-9-17(10-8-15)26(21,22)12-16-11-25-16/h3-10,16H,2,11-12H2,1H3,(H,19,20)
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1.50E+4n/an/an/an/an/an/an/an/a



University of Notre Dame du Lac

US Patent


Assay Description
Human recombinant active MMP-2 and MMP-7, and the catalytic domains of MMP-3 and MMP-14/MT1-MMP were purchased from EMD Chemicals, Inc. (San Diego, C...


US Patent US10357546 (2019)


BindingDB Entry DOI: 10.7270/Q2ZK5K03
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%