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Compile Data Set for Download or QSAR

Found 267 hits with Last Name = 'mototani' and Initial = 'h'   
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))
BDBM50025190
PNG
(CHEMBL3337899)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(CNC(=O)c4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-17-4-2-3-13(9-17)10-25-22(31)19-27-21(30)18-16(12-35-23(18)28-19)11-26-20(29)14-5-7-15(8-6-14)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)
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n/an/a 0.00220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102750
PNG
(CHEMBL3359091)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C26H22FN3O6/c1-35-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(27)22(21(20)24(31)30-23)36-12-11-15-5-7-17(8-6-15)26(33)34/h2-10,13H,11-12,14H2,1H3,(H,28,32)(H,33,34)(H,29,30,31)
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n/an/a 0.00390n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50025188
PNG
(CHEMBL3337897)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-17-4-2-3-13(9-17)11-25-22(31)20-27-21(30)19-15(12-35-23(19)28-20)10-18(29)26-16-7-5-14(6-8-16)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)
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n/an/a 0.00500n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025160
PNG
(CHEMBL3337894)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H21N3O6S/c1-32-18-4-2-3-15(9-18)10-25-22(29)20-26-21(28)19-17(13-34-23(19)27-20)12-33-11-14-5-7-16(8-6-14)24(30)31/h2-9,13H,10-12H2,1H3,(H,25,29)(H,30,31)(H,26,27,28)
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n/an/a 0.00690n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025192
PNG
(CHEMBL3337901)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(C(=O)NCc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-16-4-2-3-14(9-16)11-26-22(31)19-27-21(30)18-17(12-35-23(18)28-19)20(29)25-10-13-5-7-15(8-6-13)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,29)(H,26,31)(H,32,33)(H,27,28,30)
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n/an/a 0.00770n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.0100n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.0100n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (Human))
BDBM50025184
PNG
(CHEMBL3337892)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(cc4)C(N)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H22N4O5S/c1-32-18-4-2-3-15(9-18)10-26-23(31)21-27-22(30)19-17(13-34-24(19)28-21)12-33-11-14-5-7-16(8-6-14)20(25)29/h2-9,13H,10-12H2,1H3,(H2,25,29)(H,26,31)(H,27,28,30)
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n/an/a 0.0150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025189
PNG
(CHEMBL3337898)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(CNC(=O)c4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H20N4O4S/c1-31-17-9-5-6-14(10-17)11-24-22(30)19-26-21(29)18-16(13-32-23(18)27-19)12-25-20(28)15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,24,30)(H,25,28)(H,26,27,29)
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n/an/a 0.0180n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025183
PNG
(CHEMBL3337891)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(cc4)C#N)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O4S/c1-31-19-4-2-3-17(9-19)11-26-23(30)21-27-22(29)20-18(14-33-24(20)28-21)13-32-12-16-7-5-15(10-25)6-8-16/h2-9,14H,11-13H2,1H3,(H,26,30)(H,27,28,29)
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n/an/a 0.0180n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025194
PNG
(CHEMBL3337903)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccc(cc4)C(O)=O)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H20N4O6S/c1-34-16-4-2-3-14(9-16)11-25-22(31)20-27-21(30)19-17(12-35-23(19)28-20)26-18(29)10-13-5-7-15(8-6-13)24(32)33/h2-9,12H,10-11H2,1H3,(H,25,31)(H,26,29)(H,32,33)(H,27,28,30)
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n/an/a 0.0210n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233896
PNG
(CHEMBL4087855)
Show SMILES Fc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
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n/an/a 0.0240n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233883
PNG
(CHEMBL4094620)
Show SMILES COc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
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n/an/a 0.0260n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025191
PNG
(CHEMBL3337900)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(C(=O)NCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H20N4O4S/c1-31-16-9-5-8-15(10-16)12-25-22(30)19-26-21(29)18-17(13-32-23(18)27-19)20(28)24-11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,24,28)(H,25,30)(H,26,27,29)
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n/an/a 0.0260n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233894
PNG
(CHEMBL4079123)
Show SMILES O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1
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n/an/a 0.0270n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025187
PNG
(CHEMBL3337896)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H20N4O4S/c1-31-17-9-5-6-14(10-17)12-24-22(30)20-26-21(29)19-15(13-32-23(19)27-20)11-18(28)25-16-7-3-2-4-8-16/h2-10,13H,11-12H2,1H3,(H,24,30)(H,25,28)(H,26,27,29)
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n/an/a 0.0280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.0290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025185
PNG
(CHEMBL3337893)
Show SMILES CNC(=O)c1ccc(COCc2csc3nc([nH]c(=O)c23)C(=O)NCc2cccc(OC)c2)cc1
Show InChI InChI=1S/C25H24N4O5S/c1-26-22(30)17-8-6-15(7-9-17)12-34-13-18-14-35-25-20(18)23(31)28-21(29-25)24(32)27-11-16-4-3-5-19(10-16)33-2/h3-10,14H,11-13H2,1-2H3,(H,26,30)(H,27,32)(H,28,29,31)
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n/an/a 0.0290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.0290n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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PubMed
n/an/a 0.0290n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102751
PNG
(CHEMBL3359090)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(N)cc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H23FN4O4/c1-33-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(26)22(21(20)24(31)30-23)34-12-11-15-5-7-17(27)8-6-15/h2-10,13H,11-12,14,27H2,1H3,(H,28,32)(H,29,30,31)
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n/an/a 0.0300n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025181
PNG
(CHEMBL3337889)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(CO)cc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H23N3O5S/c1-31-19-4-2-3-17(9-19)10-25-23(30)21-26-22(29)20-18(14-33-24(20)27-21)13-32-12-16-7-5-15(11-28)6-8-16/h2-9,14,28H,10-13H2,1H3,(H,25,30)(H,26,27,29)
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n/an/a 0.0320n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233888
PNG
(CHEMBL4092215)
Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCSc2nc[nH]n2)c1
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n/an/a 0.0330n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233878
PNG
(CHEMBL4059519)
Show SMILES O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1
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n/an/a 0.0340n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233877
PNG
(CHEMBL4068176)
Show SMILES Fc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
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n/an/a 0.0360n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102753
PNG
(CHEMBL3359088)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H22FN3O4/c1-32-18-9-5-8-17(14-18)15-27-25(31)23-28-20-11-10-19(26)22(21(20)24(30)29-23)33-13-12-16-6-3-2-4-7-16/h2-11,14H,12-13,15H2,1H3,(H,27,31)(H,28,29,30)
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n/an/a 0.0400n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233895
PNG
(CHEMBL4103367)
Show SMILES O=C(NCc1cccc(OCCOc2nc[nH]n2)c1)c1nc2scc(-c3ccsc3)c2c(=O)[nH]1
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n/an/a 0.0430n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025193
PNG
(CHEMBL3337902)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H20N4O4S/c1-31-16-9-5-8-15(10-16)12-24-22(30)20-26-21(29)19-17(13-32-23(19)27-20)25-18(28)11-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3,(H,24,30)(H,25,28)(H,26,27,29)
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n/an/a 0.0530n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233880
PNG
(CHEMBL4090287)
Show SMILES Clc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
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n/an/a 0.0540n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233901
PNG
(CHEMBL4069240)
Show SMILES Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
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n/an/a 0.0570n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233886
PNG
(CHEMBL4078492)
Show SMILES Clc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1
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n/an/a 0.0590n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233884
PNG
(CHEMBL4086342)
Show SMILES Fc1ccccc1-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1
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n/an/a 0.0620n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233892
PNG
(CHEMBL4068241)
Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
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n/an/a 0.0640n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233897
PNG
(CHEMBL4064516)
Show SMILES Cc1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCSc2nc[nH]n2)c1
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n/an/a 0.0740n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50203958
PNG
(CHEMBL3965628)
Show SMILES Clc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1
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n/an/a 0.0780n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025182
PNG
(CHEMBL3337890)
Show SMILES COCc1ccc(COCc2csc3nc([nH]c(=O)c23)C(=O)NCc2cccc(OC)c2)cc1
Show InChI InChI=1S/C25H25N3O5S/c1-31-12-16-6-8-17(9-7-16)13-33-14-19-15-34-25-21(19)23(29)27-22(28-25)24(30)26-11-18-4-3-5-20(10-18)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,30)(H,27,28,29)
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n/an/a 0.0800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233903
PNG
(CHEMBL4084468)
Show SMILES CC(C)c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
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n/an/a 0.0910n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233879
PNG
(CHEMBL4095557)
Show SMILES Fc1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
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n/an/a 0.0930n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.0970n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.0970n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.0970n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233902
PNG
(CHEMBL4074089)
Show SMILES COc1ccc(cc1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCOc2nc[nH]n2)c1
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n/an/a 0.100n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 2/9


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.110n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.110n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11863
PNG
(4-({[4-(4-chlorophenoxy)benzene]sulfonyl}methyl)-N...)
Show SMILES ONC(=O)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
Show InChI InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)
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n/an/a 0.110n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025180
PNG
(CHEMBL3337888)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(F)cc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H20FN3O4S/c1-30-18-4-2-3-15(9-18)10-25-22(29)20-26-21(28)19-16(13-32-23(19)27-20)12-31-11-14-5-7-17(24)8-6-14/h2-9,13H,10-12H2,1H3,(H,25,29)(H,26,27,28)
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n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase (1 and 13)


(Homo sapiens (Human))
BDBM50233885
PNG
(CHEMBL4104248)
Show SMILES Fc1cccc(c1)-c1csc2nc([nH]c(=O)c12)C(=O)NCc1cccc(OCCCOc2nc[nH]n2)c1
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n/an/a 0.140n/an/an/an/an/an/a



Pharmaceutical Company Limited

Curated by ChEMBL




J Med Chem 60: 608-626 (2017)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102752
PNG
(CHEMBL3359089)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)c(OCCc4ccc(F)cc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H21F2N3O4/c1-33-18-4-2-3-16(13-18)14-28-25(32)23-29-20-10-9-19(27)22(21(20)24(31)30-23)34-12-11-15-5-7-17(26)8-6-15/h2-10,13H,11-12,14H2,1H3,(H,28,32)(H,29,30,31)
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n/an/a 0.150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102759
PNG
(CHEMBL3359085)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(CC(=O)Nc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H22N4O4/c1-33-19-11-5-7-16(13-19)15-26-25(32)23-28-20-12-6-8-17(22(20)24(31)29-23)14-21(30)27-18-9-3-2-4-10-18/h2-13H,14-15H2,1H3,(H,26,32)(H,27,30)(H,28,29,31)
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n/an/a 0.160n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry


J Med Chem 57: 8886-902 (2014)


Article DOI: 10.1021/jm500981k
BindingDB Entry DOI: 10.7270/Q28P628P
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50025179
PNG
(CHEMBL3337887)
Show SMILES COc1cccc(CNC(=O)c2nc3scc(COCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H21N3O4S/c1-29-18-9-5-8-16(10-18)11-24-22(28)20-25-21(27)19-17(14-31-23(19)26-20)13-30-12-15-6-3-2-4-7-15/h2-10,14H,11-13H2,1H3,(H,24,28)(H,25,26,27)
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n/an/a 0.190n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay


Bioorg Med Chem 22: 5487-505 (2014)


Article DOI: 10.1016/j.bmc.2014.07.025
BindingDB Entry DOI: 10.7270/Q27S7QBJ
More data for this
Ligand-Target Pair
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