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PubMed code 25264600

Compile data set for download or QSAR
Found 64 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 3


(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 3


(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)
72 kDa type IV 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 3


(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 3


(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-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
Matrix metalloproteinase-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



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 3


(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 3


(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
Stromelysin-1


(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 0.300n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 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 3


(Homo sapiens (Human))
BDBM50102797
PNG
(CHEMBL3359076)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(OCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H21N3O4/c1-30-18-10-5-9-17(13-18)14-25-24(29)22-26-19-11-6-12-20(21(19)23(28)27-22)31-15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,25,29)(H,26,27,28)
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n/an/a 0.310n/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 3


(Homo sapiens (Human))
BDBM50102795
PNG
(CHEMBL3359078)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(OCCCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C26H25N3O4/c1-32-20-12-5-10-19(16-20)17-27-26(31)24-28-21-13-6-14-22(23(21)25(30)29-24)33-15-7-11-18-8-3-2-4-9-18/h2-6,8-10,12-14,16H,7,11,15,17H2,1H3,(H,27,31)(H,28,29,30)
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n/an/a 0.520n/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 3


(Homo sapiens (Human))
BDBM50102798
PNG
(CHEMBL3359075)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(Oc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H19N3O4/c1-29-17-10-5-7-15(13-17)14-24-23(28)21-25-18-11-6-12-19(20(18)22(27)26-21)30-16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26,27)
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n/an/a 0.530n/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 10


(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 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP10 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 3


(Homo sapiens (Human))
BDBM50102796
PNG
(CHEMBL3359077)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(OCCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H23N3O4/c1-31-19-10-5-9-18(15-19)16-26-25(30)23-27-20-11-6-12-21(22(20)24(29)28-23)32-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,26,30)(H,27,28,29)
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n/an/a 0.690n/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 3


(Homo sapiens (Human))
BDBM50102758
PNG
(CHEMBL3359086)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(OCCC4CCCCC4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H29N3O4/c1-31-19-10-5-9-18(15-19)16-26-25(30)23-27-20-11-6-12-21(22(20)24(29)28-23)32-14-13-17-7-3-2-4-8-17/h5-6,9-12,15,17H,2-4,7-8,13-14,16H2,1H3,(H,26,30)(H,27,28,29)
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n/an/a 0.990n/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-14 (MMP14)


(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 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged MMP14 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 3


(Homo sapiens (Human))
BDBM50102766
PNG
(CHEMBL3359079)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(OCCOCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C26H25N3O5/c1-32-20-10-5-9-19(15-20)16-27-26(31)24-28-21-11-6-12-22(23(21)25(30)29-24)34-14-13-33-17-18-7-3-2-4-8-18/h2-12,15H,13-14,16-17H2,1H3,(H,27,31)(H,28,29,30)
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n/an/a 1.60n/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 3


(Homo sapiens (Human))
BDBM50102761
PNG
(CHEMBL3359083)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(COCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H23N3O4/c1-31-20-11-5-9-18(13-20)14-26-25(30)23-27-21-12-6-10-19(22(21)24(29)28-23)16-32-15-17-7-3-2-4-8-17/h2-13H,14-16H2,1H3,(H,26,30)(H,27,28,29)
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n/an/a 1.70n/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 3


(Homo sapiens (Human))
BDBM50102809
PNG
(CHEMBL3359065)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(SC)cc3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O3S/c1-24-12-5-3-4-11(8-12)10-19-18(23)16-20-15-7-6-13(25-2)9-14(15)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
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n/an/a 1.80n/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 3


(Homo sapiens (Human))
BDBM50102799
PNG
(CHEMBL3359074)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(-c4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H19N3O3/c1-29-17-10-5-7-15(13-17)14-24-23(28)21-25-19-12-6-11-18(20(19)22(27)26-21)16-8-3-2-4-9-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26,27)
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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 3


(Homo sapiens (Human))
BDBM50102815
PNG
(CHEMBL3359062)
Show SMILES CCOc1ccc2nc([nH]c(=O)c2c1)C(=O)NCc1cccc(OC)c1
Show InChI InChI=1S/C19H19N3O4/c1-3-26-14-7-8-16-15(10-14)18(23)22-17(21-16)19(24)20-11-12-5-4-6-13(9-12)25-2/h4-10H,3,11H2,1-2H3,(H,20,24)(H,21,22,23)
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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 3


(Homo sapiens (Human))
BDBM50102763
PNG
(CHEMBL3359082)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(CCCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C26H25N3O3/c1-32-21-14-6-11-19(16-21)17-27-26(31)24-28-22-15-7-13-20(23(22)25(30)29-24)12-5-10-18-8-3-2-4-9-18/h2-4,6-9,11,13-16H,5,10,12,17H2,1H3,(H,27,31)(H,28,29,30)
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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 3


(Homo sapiens (Human))
BDBM50102816
PNG
(CHEMBL3359061)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(OC)cc3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O4/c1-24-12-5-3-4-11(8-12)10-19-18(23)16-20-15-7-6-13(25-2)9-14(15)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
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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 3


(Homo sapiens (Human))
BDBM50102765
PNG
(CHEMBL3359080)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(NCCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H24N4O3/c1-32-19-10-5-9-18(15-19)16-27-25(31)23-28-21-12-6-11-20(22(21)24(30)29-23)26-14-13-17-7-3-2-4-8-17/h2-12,15,26H,13-14,16H2,1H3,(H,27,31)(H,28,29,30)
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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 3


(Homo sapiens (Human))
BDBM50102802
PNG
(CHEMBL3359071)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(F)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H14FN3O3/c1-24-11-5-2-4-10(8-11)9-19-17(23)15-20-13-7-3-6-12(18)14(13)16(22)21-15/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22)
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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 3


(Homo sapiens (Human))
BDBM50102805
PNG
(CHEMBL3359068)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(cc3c(=O)[nH]2)C#N)c1
Show InChI InChI=1S/C18H14N4O3/c1-25-13-4-2-3-12(7-13)10-20-18(24)16-21-15-6-5-11(9-19)8-14(15)17(23)22-16/h2-8H,10H2,1H3,(H,20,24)(H,21,22,23)
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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 3


(Homo sapiens (Human))
BDBM50102800
PNG
(CHEMBL3359073)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(C#N)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H14N4O3/c1-25-13-6-2-4-11(8-13)10-20-18(24)16-21-14-7-3-5-12(9-19)15(14)17(23)22-16/h2-8H,10H2,1H3,(H,20,24)(H,21,22,23)
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n/an/a 8.60n/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 3


(Homo sapiens (Human))
BDBM50102764
PNG
(CHEMBL3359081)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(SCCc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H23N3O3S/c1-31-19-10-5-9-18(15-19)16-26-25(30)23-27-20-11-6-12-21(22(20)24(29)28-23)32-14-13-17-7-3-2-4-8-17/h2-12,15H,13-14,16H2,1H3,(H,26,30)(H,27,28,29)
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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 3


(Homo sapiens (Human))
BDBM50102807
PNG
(CHEMBL3359067)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(cc3c(=O)[nH]2)-c2ccccc2)c1
Show InChI InChI=1S/C23H19N3O3/c1-29-18-9-5-6-15(12-18)14-24-23(28)21-25-20-11-10-17(13-19(20)22(27)26-21)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,24,28)(H,25,26,27)
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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 3


(Homo sapiens (Human))
BDBM50102818
PNG
(CHEMBL3359059)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(F)cc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H14FN3O3/c1-24-12-4-2-3-10(7-12)9-19-17(23)15-20-14-6-5-11(18)8-13(14)16(22)21-15/h2-8H,9H2,1H3,(H,19,23)(H,20,21,22)
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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 3


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a 12n/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)
ADAM17


(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 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSRNH2 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 3


(Homo sapiens (Human))
BDBM50102760
PNG
(CHEMBL3359084)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(CN(C)Cc4ccccc4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C26H26N4O3/c1-30(16-18-8-4-3-5-9-18)17-20-11-7-13-22-23(20)25(31)29-24(28-22)26(32)27-15-19-10-6-12-21(14-19)33-2/h3-14H,15-17H2,1-2H3,(H,27,32)(H,28,29,31)
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n/an/a 16n/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 3


(Homo sapiens (Human))
BDBM50102808
PNG
(CHEMBL3359066)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(cc3c(=O)[nH]2)S(C)(=O)=O)c1
Show InChI InChI=1S/C18H17N3O5S/c1-26-12-5-3-4-11(8-12)10-19-18(23)16-20-15-7-6-13(27(2,24)25)9-14(15)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
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n/an/a 23n/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 3


(Homo sapiens (Human))
BDBM50102801
PNG
(CHEMBL3359072)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(OC)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O4/c1-24-12-6-3-5-11(9-12)10-19-18(23)16-20-13-7-4-8-14(25-2)15(13)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
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n/an/a 25n/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 3


(Homo sapiens (Human))
BDBM50025169
PNG
(CHEMBL3337871)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(C)cc3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O3/c1-11-6-7-15-14(8-11)17(22)21-16(20-15)18(23)19-10-12-4-3-5-13(9-12)24-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
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n/an/a 26n/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 3


(Homo sapiens (Human))
BDBM50102812
PNG
(CHEMBL3359063)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(OC(F)(F)F)cc3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H14F3N3O4/c1-27-11-4-2-3-10(7-11)9-22-17(26)15-23-14-6-5-12(28-18(19,20)21)8-13(14)16(25)24-15/h2-8H,9H2,1H3,(H,22,26)(H,23,24,25)
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n/an/a 27n/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 3


(Homo sapiens (Human))
BDBM50025170
PNG
(CHEMBL3337870)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(C)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O3/c1-11-5-3-8-14-15(11)17(22)21-16(20-14)18(23)19-10-12-6-4-7-13(9-12)24-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
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n/an/a 29n/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 3


(Homo sapiens (Human))
BDBM50102756
PNG
(CHEMBL3359087)
Show SMILES COc1cccc(CNC(=O)c2nc3cccc(OCCN4CCCCC4)c3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H28N4O4/c1-31-18-8-5-7-17(15-18)16-25-24(30)22-26-19-9-6-10-20(21(19)23(29)27-22)32-14-13-28-11-3-2-4-12-28/h5-10,15H,2-4,11-14,16H2,1H3,(H,25,30)(H,26,27,29)
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n/an/a 34n/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
Interstitial 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 34n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 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 3


(Homo sapiens (Human))
BDBM50102817
PNG
(CHEMBL3359060)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(cc3c(=O)[nH]2)C(F)(F)F)c1
Show InChI InChI=1S/C18H14F3N3O3/c1-27-12-4-2-3-10(7-12)9-22-17(26)15-23-14-6-5-11(18(19,20)21)8-13(14)16(25)24-15/h2-8H,9H2,1H3,(H,22,26)(H,23,24,25)
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n/an/a 97n/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 3


(Homo sapiens (Human))
BDBM50102810
PNG
(CHEMBL3359064)
Show SMILES COc1cccc(CNC(=O)c2nc3ccc(OCc4ccccc4)cc3c(=O)[nH]2)c1
Show InChI InChI=1S/C24H21N3O4/c1-30-18-9-5-8-17(12-18)14-25-24(29)22-26-21-11-10-19(13-20(21)23(28)27-22)31-15-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,25,29)(H,26,27,28)
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n/an/a 110n/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 10


(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 160n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP10 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-7 (MMP7)


(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 210n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a 300n/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
Matrix Metalloproteinase-8 (MMP-8)


(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 720n/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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a 1.10E+3n/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 3


(Homo sapiens (Human))
BDBM50102804
PNG
(CHEMBL3359069)
Show SMILES COc1cccc(CNC(=O)c2nc3cc(OC)ccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O4/c1-24-12-5-3-4-11(8-12)10-19-18(23)16-20-15-9-13(25-2)6-7-14(15)17(22)21-16/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
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n/an/a 2.20E+3n/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 10


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP10 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
Stromelysin-1


(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 4.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 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
72 kDa type IV 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 5.30E+3n/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
ADAM17


(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>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSRNH2 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-7 (MMP7)


(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>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 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
ADAM17


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TACE using Cy3-PLAQAV(Cy5Q-L-2,3-diaminopropionic acid)-RSSSRNH2 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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 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-14 (MMP14)


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged MMP14 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-9


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a>1.00E+4n/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
Stromelysin-1


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3 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-7 (MMP7)


(Homo sapiens (Human))
BDBM50025159
PNG
(CHEMBL3337869)
Show SMILES COc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7 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-14 (MMP14)


(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>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged MMP14 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-9


(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>1.00E+4n/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
Interstitial 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>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1 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 3


(Homo sapiens (Human))
BDBM50102803
PNG
(CHEMBL3359070)
Show SMILES COc1cccc(CNC(=O)c2nc3c(OC)cccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C18H17N3O4/c1-24-12-6-3-5-11(9-12)10-19-18(23)16-20-15-13(17(22)21-16)7-4-8-14(15)25-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)
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n/an/a>1.00E+4n/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
* indicates data uncertainty>20%