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3 similar compounds to monomer 50332949

Compile data set for download or QSAR
Wt: 274.2
BDBM11334
Wt: 288.3
BDBM50148200
Wt: 304.3
BDBM50332950

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 11334,50148200,50332950   
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))
BDBM50332950
PNG
((2R,3R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]([C@@H](C)O)C(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP13 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50332950
PNG
((2R,3R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]([C@@H](C)O)C(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10-/m1/s1
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10n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP8 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50332950
PNG
((2R,3R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]([C@@H](C)O)C(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10-/m1/s1
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11n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP12 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
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 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
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
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 (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))
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))
BDBM50332950
PNG
((2R,3R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]([C@@H](C)O)C(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10-/m1/s1
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287n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP1 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50332950
PNG
((2R,3R)-N,3-dihydroxy-2-(4-methoxyphenylsulfonamid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]([C@@H](C)O)C(=O)NO
Show InChI InChI=1S/C11H16N2O6S/c1-7(14)10(11(15)12-16)13-20(17,18)9-5-3-8(19-2)4-6-9/h3-7,10,13-14,16H,1-2H3,(H,12,15)/t7-,10-/m1/s1
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984n/an/an/an/an/an/an/an/a



ProtEra s.r.l.

Curated by ChEMBL


Assay Description
Inhibition of MMP7 by fluorimetric assay


Eur J Med Chem 45: 5919-25 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.057
BindingDB Entry DOI: 10.7270/Q29G5N2W
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))
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))
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