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10 similar compounds to monomer 50260826

Compile data set for download or QSAR
Wt: 302.3
BDBM8466
Wt: 274.2
BDBM11334
Wt: 302.3
BDBM11340
Wt: 316.3
BDBM11346
Wt: 457.5
BDBM50102977
Wt: 328.3
BDBM50148199
Wt: 288.3
BDBM50148200
Wt: 519.5
BDBM50260884
Wt: 487.5
BDBM50260912
Wt: 399.4
BDBM50260802

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 47 hits for monomerid = 8466,11334,11340,11346,50102977,50148199,50148200,50260884,50260912,50260802   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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30n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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32 -10.2n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11340
PNG
(Hydroxamate 21 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
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33 -10.2n/an/an/an/an/a7.425



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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35n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11340
PNG
(Hydroxamate 21 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
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38n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11340
PNG
(Hydroxamate 21 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
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39n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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39n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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50n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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78n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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78n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
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81n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11340
PNG
(Hydroxamate 21 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
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82n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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83n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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84n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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87n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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95n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11340
PNG
(Hydroxamate 21 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
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103n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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123n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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125n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11340
PNG
(Hydroxamate 21 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
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126n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
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126n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM11340
PNG
(Hydroxamate 21 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
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126n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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130n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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137n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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138n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM11346
PNG
(Hydroxamate 27 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(C)C)C(=O)NO
Show InChI InChI=1S/C13H20N2O5S/c1-9(2)8-12(13(16)14-17)15-21(18,19)11-6-4-10(20-3)5-7-11/h4-7,9,12,15,17H,8H2,1-3H3,(H,14,16)
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>200n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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>200n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM11340
PNG
(Hydroxamate 21 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)
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>200n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50260802
PNG
(CHEMBL496717 | N-hydroxy-2,3-bis(phenylsulfonamido...)
Show SMILES ONC(=O)C(CNS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H17N3O6S2/c19-15(17-20)14(18-26(23,24)13-9-5-2-6-10-13)11-16-25(21,22)12-7-3-1-4-8-12/h1-10,14,16,18,20H,11H2,(H,17,19)
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227n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem Lett 18: 3333-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.035
BindingDB Entry DOI: 10.7270/Q2SX6D1R
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50260884
PNG
(2,3-bis(2,4-dimethoxyphenylsulfonamido)-N-hydroxyp...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)NCC(NS(=O)(=O)c1ccc(OC)cc1OC)C(=O)NO
Show InChI InChI=1S/C19H25N3O10S2/c1-29-12-5-7-17(15(9-12)31-3)33(25,26)20-11-14(19(23)21-24)22-34(27,28)18-8-6-13(30-2)10-16(18)32-4/h5-10,14,20,22,24H,11H2,1-4H3,(H,21,23)
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289n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7


Bioorg Med Chem Lett 18: 3333-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.035
BindingDB Entry DOI: 10.7270/Q2SX6D1R
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50260802
PNG
(CHEMBL496717 | N-hydroxy-2,3-bis(phenylsulfonamido...)
Show SMILES ONC(=O)C(CNS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H17N3O6S2/c19-15(17-20)14(18-26(23,24)13-9-5-2-6-10-13)11-16-25(21,22)12-7-3-1-4-8-12/h1-10,14,16,18,20H,11H2,(H,17,19)
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356n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP10


Bioorg Med Chem Lett 18: 3333-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.035
BindingDB Entry DOI: 10.7270/Q2SX6D1R
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50260802
PNG
(CHEMBL496717 | N-hydroxy-2,3-bis(phenylsulfonamido...)
Show SMILES ONC(=O)C(CNS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H17N3O6S2/c19-15(17-20)14(18-26(23,24)13-9-5-2-6-10-13)11-16-25(21,22)12-7-3-1-4-8-12/h1-10,14,16,18,20H,11H2,(H,17,19)
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2.80E+3n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP7


Bioorg Med Chem Lett 18: 3333-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.035
BindingDB Entry DOI: 10.7270/Q2SX6D1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50260912
PNG
((S)-N-hydroxy-2,5-bis(4-methoxyphenylsulfonamido)p...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCCC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C19H25N3O8S2/c1-29-14-5-9-16(10-6-14)31(25,26)20-13-3-4-18(19(23)21-24)22-32(27,28)17-11-7-15(30-2)8-12-17/h5-12,18,20,22,24H,3-4,13H2,1-2H3,(H,21,23)/t18-/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem Lett 18: 3333-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.035
BindingDB Entry DOI: 10.7270/Q2SX6D1R
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50260884
PNG
(2,3-bis(2,4-dimethoxyphenylsulfonamido)-N-hydroxyp...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)NCC(NS(=O)(=O)c1ccc(OC)cc1OC)C(=O)NO
Show InChI InChI=1S/C19H25N3O10S2/c1-29-12-5-7-17(15(9-12)31-3)33(25,26)20-11-14(19(23)21-24)22-34(27,28)18-8-6-13(30-2)10-16(18)32-4/h5-10,14,20,22,24H,11H2,1-4H3,(H,21,23)
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1.24E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem Lett 18: 3333-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.035
BindingDB Entry DOI: 10.7270/Q2SX6D1R
More data for this
Ligand-Target Pair
Matrix metalloproteinase 10


(Homo sapiens (Human))
BDBM50260884
PNG
(2,3-bis(2,4-dimethoxyphenylsulfonamido)-N-hydroxyp...)
Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)NCC(NS(=O)(=O)c1ccc(OC)cc1OC)C(=O)NO
Show InChI InChI=1S/C19H25N3O10S2/c1-29-12-5-7-17(15(9-12)31-3)33(25,26)20-11-14(19(23)21-24)22-34(27,28)18-8-6-13(30-2)10-16(18)32-4/h5-10,14,20,22,24H,11H2,1-4H3,(H,21,23)
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3.72E+5n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP10


Bioorg Med Chem Lett 18: 3333-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.035
BindingDB Entry DOI: 10.7270/Q2SX6D1R
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
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n/an/an/a 113n/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Binding affinity to stromelysin-1 catalytic domain


Bioorg Med Chem Lett 20: 280-2 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.114
BindingDB Entry DOI: 10.7270/Q20V8DQN
More data for this
Ligand-Target Pair
Anthrax Lethal Factor (LF)


(Bacillus anthracis)
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
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n/an/a 900n/an/an/an/a7.022



Merck Research Laboratories



Assay Description
The assay was performed in a 96-well plate, each well contained substrate peptide, LF, and the test compound. The C-terminally fluorophore of substra...


Bioorg Med Chem Lett 16: 964-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.088
BindingDB Entry DOI: 10.7270/Q2K35RV4
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
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n/an/an/a 43n/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry


Bioorg Med Chem Lett 20: 280-2 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.114
BindingDB Entry DOI: 10.7270/Q20V8DQN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11334
PNG
(Hydroxamate 15 | N-hydroxy-2-[(4-methoxybenzene)su...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)C(=O)NO
Show InChI InChI=1S/C10H14N2O5S/c1-7(10(13)11-14)12-18(15,16)9-5-3-8(17-2)4-6-9/h3-7,12,14H,1-2H3,(H,11,13)
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n/an/a 87n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50148199
PNG
(1-(4-Methoxy-benzenesulfonylamino)-cyclohexanecarb...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC1(CCCCC1)C(=O)NO
Show InChI InChI=1S/C14H20N2O5S/c1-21-11-5-7-12(8-6-11)22(19,20)16-14(13(17)15-18)9-3-2-4-10-14/h5-8,16,18H,2-4,9-10H2,1H3,(H,15,17)
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n/an/a 49n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50148200
PNG
(CHEMBL114378 | N-Hydroxy-2-(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)(C)C(=O)NO
Show InChI InChI=1S/C11H16N2O5S/c1-11(2,10(14)12-15)13-19(16,17)9-6-4-8(18-3)5-7-9/h4-7,13,15H,1-3H3,(H,12,14)
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n/an/a 100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloprotease-1 (MMP-1)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50148200
PNG
(CHEMBL114378 | N-Hydroxy-2-(4-methoxy-benzenesulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(C)(C)C(=O)NO
Show InChI InChI=1S/C11H16N2O5S/c1-11(2,10(14)12-15)13-19(16,17)9-6-4-8(18-3)5-7-9/h4-7,13,15H,1-3H3,(H,12,14)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50148199
PNG
(1-(4-Methoxy-benzenesulfonylamino)-cyclohexanecarb...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC1(CCCCC1)C(=O)NO
Show InChI InChI=1S/C14H20N2O5S/c1-21-11-5-7-12(8-6-11)22(19,20)16-14(13(17)15-18)9-3-2-4-10-14/h5-8,16,18H,2-4,9-10H2,1H3,(H,15,17)
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n/an/a 550n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloprotease-1 (MMP-1)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Bone morphogenetic protein 1


(Homo sapiens (Human))
BDBM50102977
PNG
((R)-5-Benzenesulfonylamino-2-(4-methoxy-benzenesul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](CCCNS(=O)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C18H23N3O7S2/c1-28-14-9-11-16(12-10-14)30(26,27)21-17(18(22)20-23)8-5-13-19-29(24,25)15-6-3-2-4-7-15/h2-4,6-7,9-12,17,19,21,23H,5,8,13H2,1H3,(H,20,22)/t17-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Roche Bioscience

Curated by ChEMBL


Assay Description
Inhibitory activity against procollagen C-Proteinase (PCP).


Bioorg Med Chem Lett 11: 2085-8 (2001)


Article DOI: 10.1016/s0960-894x(01)00384-5
BindingDB Entry DOI: 10.7270/Q24X589D
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
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n/an/a 170n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloprotease-1 (MMP-1)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair