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9 similar compounds to monomer 50078568

Wt: 436.5
BDBM50078565
Wt: 466.6
BDBM50078566
Wt: 542.7
BDBM50078569
Wt: 528.6
BDBM50103989
Wt: 515.4
BDBM50103990
Wt: 512.6
BDBM50103995
Wt: 496.6
BDBM50103999
Wt: 466.6
BDBM50104001
Wt: 466.6
BDBM50104006

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 50078565,50078566,50078569,50103989,50103990,50103995,50103999,50104001,50104006   
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
Collagenase


(Homo sapiens (Human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a<0.100n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50078566
PNG
((S)-4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103990
PNG
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25)
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n/an/a 4.30n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103995
PNG
(4-Benzylsulfanyl-2-[(biphenyl-4-sulfonyl)-isobutyl...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H32N2O4S2/c1-21(2)19-29(26(27(30)28-31)17-18-34-20-22-9-5-3-6-10-22)35(32,33)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)
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n/an/a 2.5n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103989
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)
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n/an/a 0.5n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104006
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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Article
PubMed
n/an/a<0.100n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


J Med Chem 49: 51-69 (2006)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50103990
PNG
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25)
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n/an/a 14n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-13


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50103989
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-1


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a 0.700n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50103999
PNG
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26)
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n/an/a 5.30n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-13


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50103990
PNG
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25)
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n/an/a 15n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a 104n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-1


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-13


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50103995
PNG
(4-Benzylsulfanyl-2-[(biphenyl-4-sulfonyl)-isobutyl...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H32N2O4S2/c1-21(2)19-29(26(27(30)28-31)17-18-34-20-22-9-5-3-6-10-22)35(32,33)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)
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n/an/a 3.80n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-13


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a 0.700n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-2


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50103995
PNG
(4-Benzylsulfanyl-2-[(biphenyl-4-sulfonyl)-isobutyl...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H32N2O4S2/c1-21(2)19-29(26(27(30)28-31)17-18-34-20-22-9-5-3-6-10-22)35(32,33)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)
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n/an/a 4.10n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-2


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50103999
PNG
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26)
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n/an/a 297n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-1


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50103999
PNG
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26)
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n/an/a 3.80n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-2


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50103989
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)
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n/an/a 3.20n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-13


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50103989
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)
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n/an/a 1.60n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-2


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50103999
PNG
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26)
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n/an/a 5.70n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50103995
PNG
(4-Benzylsulfanyl-2-[(biphenyl-4-sulfonyl)-isobutyl...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C27H32N2O4S2/c1-21(2)19-29(26(27(30)28-31)17-18-34-20-22-9-5-3-6-10-22)35(32,33)25-15-13-24(14-16-25)23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)
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n/an/a 90n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50103989
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-phenoxy-...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H32N2O5S2/c1-21(2)19-29(26(27(30)28-31)17-18-35-20-22-9-5-3-6-10-22)36(32,33)25-15-13-24(14-16-25)34-23-11-7-4-8-12-23/h3-16,21,26,31H,17-20H2,1-2H3,(H,28,30)
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n/an/a 4.20n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-3


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50103990
PNG
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25)
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n/an/a 164n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-1


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50103990
PNG
(4-Benzylsulfanyl-2-[(4-bromo-benzenesulfonyl)-isob...)
Show SMILES CC(C)CN(C(CCSCc1ccccc1)C(=O)NO)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H27BrN2O4S2/c1-16(2)14-24(30(27,28)19-10-8-18(22)9-11-19)20(21(25)23-26)12-13-29-15-17-6-4-3-5-7-17/h3-11,16,20,26H,12-15H2,1-2H3,(H,23,25)
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n/an/a 16n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-2


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50104006
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-1


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50104006
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50104006
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50104006
PNG
(4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-methoxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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PubMed
n/an/a 104n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP1


J Med Chem 49: 51-69 (2006)

More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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PubMed
n/an/a 0.700n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


J Med Chem 49: 51-69 (2006)

More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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PubMed
n/an/a 0.700n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP3


J Med Chem 49: 51-69 (2006)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50104001
PNG
(4-(benzylthio)-N-hydroxy-2-(N-isobutyl-4-methoxyph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)
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n/an/a 12n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP13


J Med Chem 49: 51-69 (2006)

More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50078565
PNG
((S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hyd...)
Show SMILES CSCC[C@H](N(CC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O4S2/c1-16(2)15-23(20(13-14-28-3)21(24)22-25)29(26,27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16,20,25H,13-15H2,1-3H3,(H,22,24)/t20-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50078566
PNG
((S)-4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50078566
PNG
((S)-4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50078565
PNG
((S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hyd...)
Show SMILES CSCC[C@H](N(CC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O4S2/c1-16(2)15-23(20(13-14-28-3)21(24)22-25)29(26,27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16,20,25H,13-15H2,1-3H3,(H,22,24)/t20-/m0/s1
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n/an/a 156n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50078565
PNG
((S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hyd...)
Show SMILES CSCC[C@H](N(CC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O4S2/c1-16(2)15-23(20(13-14-28-3)21(24)22-25)29(26,27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16,20,25H,13-15H2,1-3H3,(H,22,24)/t20-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50078569
PNG
((S)-4-(Biphenyl-4-ylmethylsulfanyl)-N-hydroxy-2-[i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C28H34N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-16,21,27,32H,17-20H2,1-3H3,(H,29,31)/t27-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078569
PNG
((S)-4-(Biphenyl-4-ylmethylsulfanyl)-N-hydroxy-2-[i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C28H34N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-16,21,27,32H,17-20H2,1-3H3,(H,29,31)/t27-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50078566
PNG
((S)-4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50078569
PNG
((S)-4-(Biphenyl-4-ylmethylsulfanyl)-N-hydroxy-2-[i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C28H34N2O5S2/c1-21(2)19-30(37(33,34)26-15-13-25(35-3)14-16-26)27(28(31)29-32)17-18-36-20-22-9-11-24(12-10-22)23-7-5-4-6-8-23/h4-16,21,27,32H,17-20H2,1-3H3,(H,29,31)/t27-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078566
PNG
((S)-4-Benzylsulfanyl-N-hydroxy-2-[isobutyl-(4-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)[C@@H](CCSCc1ccccc1)C(=O)NO
Show InChI InChI=1S/C22H30N2O5S2/c1-17(2)15-24(31(27,28)20-11-9-19(29-3)10-12-20)21(22(25)23-26)13-14-30-16-18-7-5-4-6-8-18/h4-12,17,21,26H,13-16H2,1-3H3,(H,23,25)/t21-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50078565
PNG
((S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hyd...)
Show SMILES CSCC[C@H](N(CC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O4S2/c1-16(2)15-23(20(13-14-28-3)21(24)22-25)29(26,27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16,20,25H,13-15H2,1-3H3,(H,22,24)/t20-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078565
PNG
((S)-2-[(Biphenyl-4-sulfonyl)-isobutyl-amino]-N-hyd...)
Show SMILES CSCC[C@H](N(CC(C)C)S(=O)(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O4S2/c1-16(2)15-23(20(13-14-28-3)21(24)22-25)29(26,27)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16,20,25H,13-15H2,1-3H3,(H,22,24)/t20-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50103999
PNG
(CHEMBL105279 | N-Hydroxy-2-[isobutyl-(4-methoxy-be...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C(CCSCc1cccc(OC)c1)C(=O)NO
Show InChI InChI=1S/C23H32N2O6S2/c1-17(2)15-25(33(28,29)21-10-8-19(30-3)9-11-21)22(23(26)24-27)12-13-32-16-18-6-5-7-20(14-18)31-4/h5-11,14,17,22,27H,12-13,15-16H2,1-4H3,(H,24,26)
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n/an/a 3.20n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
In vitro inhibition of human matrix metalloprotease-9


Citation and Details
More data for this
Ligand-Target Pair