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PubMed code 23287054

Compile data set for download or QSAR
Found 46 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
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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8n/an/an/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(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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20n/an/an/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Interstitial collagenase


(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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33n/an/an/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP1


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(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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43n/an/an/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM12074
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 0.00400n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM12074
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 0.00700n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM12074
PNG
((2R)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m1/s1
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n/an/a 0.00800n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM24025
PNG
((2R)-3-methyl-2-[(4-phenylbenzene)sulfonamido]buta...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C17H19NO4S/c1-12(2)16(17(19)20)18-23(21,22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1
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n/an/a 0.0380n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM24025
PNG
((2R)-3-methyl-2-[(4-phenylbenzene)sulfonamido]buta...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C17H19NO4S/c1-12(2)16(17(19)20)18-23(21,22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1
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n/an/a 0.0400n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50137279
PNG
(6-Hydroxy-2-(4-nitro-benzenesulfonyl)-1,2,3,4-tetr...)
Show SMILES ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15N3O7S/c20-12-3-6-14-10(9-12)7-8-18(15(14)16(21)17-22)27(25,26)13-4-1-11(2-5-13)19(23)24/h1-6,9,15,20,22H,7-8H2,(H,17,21)
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n/an/a 0.0410n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP1 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM24025
PNG
((2R)-3-methyl-2-[(4-phenylbenzene)sulfonamido]buta...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C17H19NO4S/c1-12(2)16(17(19)20)18-23(21,22)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,16,18H,1-2H3,(H,19,20)/t16-/m1/s1
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n/an/a 0.0620n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50137279
PNG
(6-Hydroxy-2-(4-nitro-benzenesulfonyl)-1,2,3,4-tetr...)
Show SMILES ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15N3O7S/c20-12-3-6-14-10(9-12)7-8-18(15(14)16(21)17-22)27(25,26)13-4-1-11(2-5-13)19(23)24/h1-6,9,15,20,22H,7-8H2,(H,17,21)
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n/an/a 0.0760n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50137279
PNG
(6-Hydroxy-2-(4-nitro-benzenesulfonyl)-1,2,3,4-tetr...)
Show SMILES ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15N3O7S/c20-12-3-6-14-10(9-12)7-8-18(15(14)16(21)17-22)27(25,26)13-4-1-11(2-5-13)19(23)24/h1-6,9,15,20,22H,7-8H2,(H,17,21)
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n/an/a 0.25n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148201
PNG
(1-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-cycl...)
Show SMILES ONC(=O)C1(CCCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O5S/c19-13-3-5-14(6-4-13)26-15-7-9-16(10-8-15)27(24,25)21-18(17(22)20-23)11-1-2-12-18/h3-10,21,23H,1-2,11-12H2,(H,20,22)
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n/an/a 0.650n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50148231
PNG
(2-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-N-hy...)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H17FN2O5S/c1-16(2,15(20)18-21)19-25(22,23)14-9-7-13(8-10-14)24-12-5-3-11(17)4-6-12/h3-10,19,21H,1-2H3,(H,18,20)
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n/an/a 0.700n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using (7-amino-4-methyl-coumarin)-Pro-Leu-Gly-Leu-(dinitrophenylamine)-Ala-Arg- NH2 as substrate by fluorimetric...


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50106136
PNG
(2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...)
Show SMILES CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C26H29ClN4O5S/c1-29-14-16-31(17-15-29)18-19-4-3-5-24(26(32)28-33)25(19)30(2)37(34,35)23-12-10-22(11-13-23)36-21-8-6-20(27)7-9-21/h3-13,33H,14-18H2,1-2H3,(H,28,32)
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n/an/a 0.800n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50428828
PNG
(CHEMBL2337131)
Show SMILES ONC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C22H18Cl2N2O5S/c23-15-6-9-19(24)20(13-15)32(29,30)26-11-10-14-12-17(31-16-4-2-1-3-5-16)7-8-18(14)21(26)22(27)25-28/h1-9,12-13,21,28H,10-11H2,(H,25,27)
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n/an/a 0.930n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP12 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM24043
PNG
((2R)-2-({4-[4-(1-benzofuran-2-amido)phenyl]benzene...)
Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)c2cc3ccccc3o2)cc1)C(O)=O |r|
Show InChI InChI=1S/C26H24N2O6S/c1-16(2)24(26(30)31)28-35(32,33)21-13-9-18(10-14-21)17-7-11-20(12-8-17)27-25(29)23-15-19-5-3-4-6-22(19)34-23/h3-16,24,28H,1-2H3,(H,27,29)(H,30,31)/t24-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095222
PNG
(CHEMBL83209 | N-Hydroxy-2-[4-(4-trifluoromethyl-ph...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O5S/c20-19(21,22)13-5-7-14(8-6-13)29-15-9-11-24(12-10-15)30(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,15,26H,9-12H2,(H,23,25)
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n/an/a 1.30n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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n/an/a 2n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(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 3n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50428829
PNG
(CHEMBL2337130)
Show SMILES ONC(=O)c1cccc(F)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O5S/c20-16-3-1-2-15(18(26)24-27)17(16)31(28,29)25-10-8-14(9-11-25)30-13-6-4-12(5-7-13)19(21,22)23/h1-7,14,27H,8-11H2,(H,24,26)
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n/an/a 3.30n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
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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n/an/a 12n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50428829
PNG
(CHEMBL2337130)
Show SMILES ONC(=O)c1cccc(F)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O5S/c20-16-3-1-2-15(18(26)24-27)17(16)31(28,29)25-10-8-14(9-11-25)30-13-6-4-12(5-7-13)19(21,22)23/h1-7,14,27H,8-11H2,(H,24,26)
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n/an/a 12n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50148231
PNG
(2-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-N-hy...)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H17FN2O5S/c1-16(2,15(20)18-21)19-25(22,23)14-9-7-13(8-10-14)24-12-5-3-11(17)4-6-12/h3-10,19,21H,1-2H3,(H,18,20)
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n/an/a 13n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 using (7-amino-4-methyl-coumarin)-Pro-Leu-Gly-Leu-(dinitrophenylamine)-Ala-Arg- NH2 as substrate by fluorimetric...


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(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 13n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096477
PNG
(3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)nc(OC)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O7S/c1-30-16-9-11-17(12-10-16)33(28,29)25(14-15-7-5-4-6-8-15)20-18(21(26)24-27)13-19(31-2)23-22(20)32-3/h4-13,27H,14H2,1-3H3,(H,24,26)
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n/an/a 15n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095222
PNG
(CHEMBL83209 | N-Hydroxy-2-[4-(4-trifluoromethyl-ph...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O5S/c20-19(21,22)13-5-7-14(8-6-13)29-15-9-11-24(12-10-15)30(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,15,26H,9-12H2,(H,23,25)
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n/an/a 28n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095218
PNG
(CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...)
Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)
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n/an/a 33n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
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 34n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096477
PNG
(3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)nc(OC)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O7S/c1-30-16-9-11-17(12-10-16)33(28,29)25(14-15-7-5-4-6-8-15)20-18(21(26)24-27)13-19(31-2)23-22(20)32-3/h4-13,27H,14H2,1-3H3,(H,24,26)
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n/an/a 47n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096476
PNG
((R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-c...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C1CCCC[C@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20?/m1/s1
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n/an/a 174n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP1 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096476
PNG
((R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-c...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C1CCCC[C@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20?/m1/s1
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n/an/a 181n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(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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n/an/a 200n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM50096476
PNG
((R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-c...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C1CCCC[C@H]1C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-17-11-13-18(14-12-17)29(26,27)23(15-16-7-3-2-4-8-16)20-10-6-5-9-19(20)21(24)22-25/h2-4,7-8,11-14,19-20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t19-,20?/m1/s1
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n/an/a 233n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096480
PNG
(4-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-5-bro...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(Br)scc1C(=O)NO
Show InChI InChI=1S/C19H17BrN2O5S2/c1-27-14-7-9-15(10-8-14)29(25,26)22(11-13-5-3-2-4-6-13)17-16(19(23)21-24)12-28-18(17)20/h2-10,12,24H,11H2,1H3,(H,21,23)
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n/an/a 236n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM12075
PNG
((2S)-2-{[4-(4-bromophenyl)benzene]sulfonamido}-3-m...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1ccc(Br)cc1)C(O)=O |r|
Show InChI InChI=1S/C17H18BrNO4S/c1-11(2)16(17(20)21)19-24(22,23)15-9-5-13(6-10-15)12-3-7-14(18)8-4-12/h3-11,16,19H,1-2H3,(H,20,21)/t16-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP14 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096480
PNG
(4-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-5-bro...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(Br)scc1C(=O)NO
Show InChI InChI=1S/C19H17BrN2O5S2/c1-27-14-7-9-15(10-8-14)29(25,26)22(11-13-5-3-2-4-6-13)17-16(19(23)21-24)12-28-18(17)20/h2-10,12,24H,11H2,1H3,(H,21,23)
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n/an/a 427n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP13 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096480
PNG
(4-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-5-bro...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(Br)scc1C(=O)NO
Show InChI InChI=1S/C19H17BrN2O5S2/c1-27-14-7-9-15(10-8-14)29(25,26)22(11-13-5-3-2-4-6-13)17-16(19(23)21-24)12-28-18(17)20/h2-10,12,24H,11H2,1H3,(H,21,23)
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n/an/a 639n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP1 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096477
PNG
(3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)nc(OC)cc1C(=O)NO
Show InChI InChI=1S/C22H23N3O7S/c1-30-16-9-11-17(12-10-16)33(28,29)25(14-15-7-5-4-6-8-15)20-18(21(26)24-27)13-19(31-2)23-22(20)32-3/h4-13,27H,14H2,1-3H3,(H,24,26)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP1 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50204371
PNG
(2-{isopropoxy[(4-methoxyphenyl)sulfonyl]amino}-N-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C12H18N2O6S/c1-9(2)20-14(8-12(15)13-16)21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9,16H,8H2,1-3H3,(H,13,15)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP2 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Stromelysin-1


(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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n/an/a 4.50E+3n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Stromelysin-1


(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 6.50E+3n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%