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Compile Data Set for Download or QSAR

Found 498 hits with Last Name = 'cercignani' and Initial = 'g'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50294132
PNG
(CHEMBL561963 | N-hydroxy-2-(N-isopropoxy-4'-isopro...)
Show SMILES CC(C)ON(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26)
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1n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50294132
PNG
(CHEMBL561963 | N-hydroxy-2-(N-isopropoxy-4'-isopro...)
Show SMILES CC(C)ON(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)C(C)C
Show InChI InChI=1S/C23H32N2O5S/c1-15(2)18-7-9-19(10-8-18)20-11-13-21(14-12-20)31(28,29)25(30-17(5)6)22(16(3)4)23(26)24-27/h7-17,22,27H,1-6H3,(H,24,26)
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13-mediated collagen degradation by SDS-PAGE


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50294122
PNG
(CHEMBL560837 | N-Hydroxy-2-(N-isopropoxy-4'-methox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C18H22N2O6S/c1-13(2)26-20(12-18(21)19-22)27(23,24)17-10-6-15(7-11-17)14-4-8-16(25-3)9-5-14/h4-11,13,22H,12H2,1-3H3,(H,19,21)
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3.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50161331
PNG
(2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydro...)
Show SMILES CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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13n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50294124
PNG
(2-(4'-(4-Chlorobenzyloxy)-N-isopropoxybiphenyl-4-y...)
Show SMILES CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H25ClN2O6S/c1-17(2)33-27(15-24(28)26-29)34(30,31)23-13-7-20(8-14-23)19-5-11-22(12-6-19)32-16-18-3-9-21(25)10-4-18/h3-14,17,29H,15-16H2,1-2H3,(H,26,28)
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25n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50294131
PNG
((R)-2-(4'-(4-Chlorobenzyloxy)-N-isopropoxybiphenyl...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C27H31ClN2O6S/c1-18(2)26(27(31)29-32)30(36-19(3)4)37(33,34)25-15-9-22(10-16-25)21-7-13-24(14-8-21)35-17-20-5-11-23(28)12-6-20/h5-16,18-19,26,32H,17H2,1-4H3,(H,29,31)/t26-/m1/s1
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29n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13-mediated collagen degradation by SDS-PAGE


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-2


Bioorg Med Chem Lett 15: 1321-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.024
BindingDB Entry DOI: 10.7270/Q2X34Z6T
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 0.0900n/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-2


Bioorg Med Chem Lett 15: 1321-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.024
BindingDB Entry DOI: 10.7270/Q2X34Z6T
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-3


Bioorg Med Chem Lett 15: 1321-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.024
BindingDB Entry DOI: 10.7270/Q2X34Z6T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


Bioorg Med Chem Lett 15: 1321-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.024
BindingDB Entry DOI: 10.7270/Q2X34Z6T
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-14


Bioorg Med Chem Lett 15: 1321-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.024
BindingDB Entry DOI: 10.7270/Q2X34Z6T
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50161327
PNG
(CHEMBL362651 | {(R)-3-[(Biphenyl-4-sulfonyl)-isopr...)
Show SMILES CC(C)ON([C@H](CCNC(=O)OCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H31N3O7S/c1-20(2)37-30(38(34,35)24-15-13-23(14-16-24)22-11-7-4-8-12-22)25(26(31)29-33)17-18-28-27(32)36-19-21-9-5-3-6-10-21/h3-16,20,25,33H,17-19H2,1-2H3,(H,28,32)(H,29,31)/t25-/m1/s1
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n/an/a 0.410n/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-2


Bioorg Med Chem Lett 15: 1321-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.024
BindingDB Entry DOI: 10.7270/Q2X34Z6T
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50314225
PNG
((R)-4-acetamido-2-(biphenyl-4-ylsulfonamido)-N-hyd...)
Show SMILES CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C18H21N3O5S/c1-13(22)19-12-11-17(18(23)20-24)21-27(25,26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17,21,24H,11-12H2,1H3,(H,19,22)(H,20,23)/t17-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM17 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 0.800n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human recombinant pro-MMP9 catalytic domain after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human recombinant pro-MMP2 catalytic domain after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 0.850n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 1 hr preincubation by fluorometry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 0.890n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 30 mins preincubation by fluorometry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50314221
PNG
((R)-2-(4-bromophenylsulfonamido)-4-(1,3-dioxoisoin...)
Show SMILES ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50314221
PNG
((R)-2-(4-bromophenylsulfonamido)-4-(1,3-dioxoisoin...)
Show SMILES ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50294131
PNG
((R)-2-(4'-(4-Chlorobenzyloxy)-N-isopropoxybiphenyl...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C27H31ClN2O6S/c1-18(2)26(27(31)29-32)30(36-19(3)4)37(33,34)25-15-9-22(10-16-25)21-7-13-24(14-8-21)35-17-20-5-11-23(28)12-6-20/h5-16,18-19,26,32H,17H2,1-4H3,(H,29,31)/t26-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13-mediated collagen degradation by SDS-PAGE


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50294121
PNG
(CHEMBL550081 | N-hydroxy-2-(N-isopropoxy-4'-(methy...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C18H22N2O5S2/c1-13(2)25-20(12-18(21)19-22)27(23,24)17-10-6-15(7-11-17)14-4-8-16(26-3)9-5-14/h4-11,13,22H,12H2,1-3H3,(H,19,21)
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n/an/a 1.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50314221
PNG
((R)-2-(4-bromophenylsulfonamido)-4-(1,3-dioxoisoin...)
Show SMILES ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP8 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-8


Bioorg Med Chem Lett 15: 1321-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.024
BindingDB Entry DOI: 10.7270/Q2X34Z6T
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ADAM17 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50161333
PNG
(2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydro...)
Show SMILES CC(C)ON(C(C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)
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n/an/a 1.80n/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-2


Bioorg Med Chem Lett 15: 1321-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.024
BindingDB Entry DOI: 10.7270/Q2X34Z6T
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50294120
PNG
(2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide | ...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
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n/an/a 2n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50294120
PNG
(2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide | ...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
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n/an/a 2n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50294120
PNG
(2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide | ...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
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n/an/a 2.40n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13-mediated collagen degradation by SDS-PAGE


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50299056
PNG
((+/-)-N-Hydroxy-2-[2-(4'-methoxy-biphenyl-4-sulfon...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1C(C)C(=O)NO
Show InChI InChI=1S/C22H21NO5S/c1-15(22(24)23-25)20-5-3-4-6-21(20)29(26,27)19-13-9-17(10-14-19)16-7-11-18(28-2)12-8-16/h3-15,25H,1-2H3,(H,23,24)
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n/an/a 2.70n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50294120
PNG
(2-(biphenyl-4-ylsulfonamido)-N-hydroxyacetamide | ...)
Show SMILES ONC(=O)CNS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
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n/an/a 2.80n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13-mediated collagen degradation by SDS-PAGE


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50294131
PNG
((R)-2-(4'-(4-Chlorobenzyloxy)-N-isopropoxybiphenyl...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C27H31ClN2O6S/c1-18(2)26(27(31)29-32)30(36-19(3)4)37(33,34)25-15-9-22(10-16-25)21-7-13-24(14-8-21)35-17-20-5-11-23(28)12-6-20/h5-16,18-19,26,32H,17H2,1-4H3,(H,29,31)/t26-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314222
PNG
((R)-benzyl 3-(4-(but-2-ynyloxy)phenylsulfonamido)-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCNC(=O)OCc1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C22H25N3O7S/c1-2-3-15-31-18-9-11-19(12-10-18)33(29,30)25-20(21(26)24-28)13-14-23-22(27)32-16-17-7-5-4-6-8-17/h4-12,20,25,28H,13-16H2,1H3,(H,23,27)(H,24,26)/t20-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of EGF-induced sALCAM release by ELISA


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 3.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 3.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human recombinant pro-MMP2 catalytic domain after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50314221
PNG
((R)-2-(4-bromophenylsulfonamido)-4-(1,3-dioxoisoin...)
Show SMILES ONC(=O)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H16BrN3O6S/c19-11-5-7-12(8-6-11)29(27,28)21-15(16(23)20-26)9-10-22-17(24)13-3-1-2-4-14(13)18(22)25/h1-8,15,21,26H,9-10H2,(H,20,23)/t15-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP1 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 4.10n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP13 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50161330
PNG
((R)-2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-h...)
Show SMILES CC(C)ON([C@H](C(C)C)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H26N2O5S/c1-14(2)19(20(23)21-24)22(27-15(3)4)28(25,26)18-12-10-17(11-13-18)16-8-6-5-7-9-16/h5-15,19,24H,1-4H3,(H,21,23)/t19-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP13 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50294122
PNG
(CHEMBL560837 | N-Hydroxy-2-(N-isopropoxy-4'-methox...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C18H22N2O6S/c1-13(2)26-20(12-18(21)19-22)27(23,24)17-10-6-15(7-11-17)14-4-8-16(25-3)9-5-14/h4-11,13,22H,12H2,1-3H3,(H,19,21)
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n/an/a 4.20n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50314223
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-4-(1,3-...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](CCN1C(=O)c2ccccc2C1=O)C(=O)NO |r|
Show InChI InChI=1S/C22H21N3O7S/c1-2-3-14-32-15-8-10-16(11-9-15)33(30,31)24-19(20(26)23-29)12-13-25-21(27)17-6-4-5-7-18(17)22(25)28/h4-11,19,24,29H,12-14H2,1H3,(H,23,26)/t19-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of ADAM17 in human SKOV3 cells assessed as inhibition of EGF-induced sALCAM release by ELISA


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM13080
PNG
(CGS 27023A Analog 3 | N-hydroxy-2-[(4-methoxybenze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
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n/an/a 4.80n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9 by fluorometric assay


J Med Chem 53: 2622-35 (2010)


Article DOI: 10.1021/jm901868z
BindingDB Entry DOI: 10.7270/Q26H4HK0
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50299052
PNG
(CHEMBL584365 | N-Hydroxy-2-[2-(4'-methoxy-biphenyl...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(=O)NO
Show InChI InChI=1S/C21H19NO5S/c1-27-18-10-6-15(7-11-18)16-8-12-19(13-9-16)28(25,26)20-5-3-2-4-17(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 4.80n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50299051
PNG
(CHEMBL573715 | N-Hydroxy-2-{2-[4-(4-methoxy-phenox...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccccc2CC(=O)NO)cc1
Show InChI InChI=1S/C21H19NO6S/c1-27-16-6-8-17(9-7-16)28-18-10-12-19(13-11-18)29(25,26)20-5-3-2-4-15(20)14-21(23)22-24/h2-13,24H,14H2,1H3,(H,22,23)
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n/an/a 5.10n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP8 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50294123
PNG
(2-(4'-Butoxy-N-isopropoxybiphenyl-4-ylsulfonamido)...)
Show SMILES CCCCOc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C21H28N2O6S/c1-4-5-14-28-19-10-6-17(7-11-19)18-8-12-20(13-9-18)30(26,27)23(29-16(2)3)15-21(24)22-25/h6-13,16,25H,4-5,14-15H2,1-3H3,(H,22,24)
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n/an/a 5.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
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