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BDBM11349 2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-methylpentanamide::Hydroxamate 30

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO

InChI Key: InChIKey=VKUYLANQOAKALN-UHFFFAOYSA-N

Data: 10 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 11349   
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))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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1.30n/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/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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1.30n/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))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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9n/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/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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10n/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/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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10n/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 (ChC)


(Clostridium histolyticum)
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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13n/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/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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44n/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/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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190n/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/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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>200n/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/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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>200n/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/jm8015816
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM11349
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)
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n/an/a 44n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


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
3D
3D Structure (docked)