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Compile Data Set for Download or QSAR

Found 34 hits from Celltech Chiroscience Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50100087
PNG
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1
Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28)
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n/an/a 3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100087
PNG
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1
Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28)
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n/an/a 3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100089
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
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n/an/a 4n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50100089
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
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n/an/a 5n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50100089
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
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n/an/a 15n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50100087
PNG
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1
Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28)
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n/an/a 15n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100090
PNG
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28)
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n/an/a 50n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50100090
PNG
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28)
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n/an/a 80n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100087
PNG
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1
Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28)
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n/an/a 100n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100089
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H25NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,29H,7,10,13,18H2,(H,26,28)
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n/an/a 100n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50100092
PNG
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27)
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n/an/a 150n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50100090
PNG
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28)
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n/an/a 150n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100092
PNG
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27)
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n/an/a 200n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50100092
PNG
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27)
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n/an/a 300n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50100091
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28)
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n/an/a 300n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100090
PNG
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28)
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n/an/a 350n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50100091
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28)
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n/an/a 400n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100091
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28)
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n/an/a 800n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100091
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100088
PNG
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1
Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100092
PNG
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50100088
PNG
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1
Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100088
PNG
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1
Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50100086
PNG
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)
Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50100088
PNG
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1
Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50100086
PNG
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)
Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100086
PNG
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)
Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100087
PNG
(5-Phenyl-2-[4-(pyridine-4-carbonyl)-benzenesulfony...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccncc1
Show InChI InChI=1S/C24H24N2O5S/c27-23(20-13-15-25-16-14-20)19-9-11-22(12-10-19)32(30,31)17-21(24(28)26-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,26,28)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100086
PNG
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)
Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100086
PNG
(CHEMBL33977 | [2,6-Dimethyl-4-(3-methyl-4-oxo-3,4-...)
Show SMILES COC(=O)COc1c(C)cc(cc1C)-c1nn(C)c(=O)c2ccccc12
Show InChI InChI=1S/C20H20N2O4/c1-12-9-14(10-13(2)19(12)26-11-17(23)25-4)18-15-7-5-6-8-16(15)20(24)22(3)21-18/h5-10H,11H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100091
PNG
(2-(4-Benzoyl-benzenesulfonylmethyl)-5-phenyl-penta...)
Show SMILES OC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H24O5S/c26-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)31(29,30)18-22(25(27)28)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22H,7,10,13,18H2,(H,27,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100090
PNG
(2-[4-(1-Oxy-pyridine-4-carbonyl)-benzenesulfonylme...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(=O)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C24H24N2O6S/c27-23(20-13-15-26(30)16-14-20)19-9-11-22(12-10-19)33(31,32)17-21(24(28)25-29)8-4-7-18-5-2-1-3-6-18/h1-3,5-6,9-16,21,29H,4,7-8,17H2,(H,25,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100088
PNG
(2-[4-(Hydroxy-phenyl-methyl)-benzenesulfonylmethyl...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(cc1)C(O)c1ccccc1
Show InChI InChI=1S/C25H27NO5S/c27-24(20-11-5-2-6-12-20)21-14-16-23(17-15-21)32(30,31)18-22(25(28)26-29)13-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12,14-17,22,24,27,29H,7,10,13,18H2,(H,26,28)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50100092
PNG
(2-(4-Benzyl-benzenesulfonylmethyl)-5-phenyl-pentan...)
Show SMILES ONC(=O)C(CCCc1ccccc1)CS(=O)(=O)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C25H27NO4S/c27-25(26-28)23(13-7-12-20-8-3-1-4-9-20)19-31(29,30)24-16-14-22(15-17-24)18-21-10-5-2-6-11-21/h1-6,8-11,14-17,23,28H,7,12-13,18-19H2,(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Celltech Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1465-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00259-1
BindingDB Entry DOI: 10.7270/Q2QV3N2N
More data for this
Ligand-Target Pair