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BDBM50294129 2-(5-(4-Ethylphenyl)-N-isopropoxythiophene-2-sulfonamido)-N-hydroxyacetamide::CHEMBL561039

SMILES: CCc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CC(=O)NO)OC(C)C

InChI Key: InChIKey=KJDPTHLLJDQIMT-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50294129   
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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50294129
PNG
(2-(5-(4-Ethylphenyl)-N-isopropoxythiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C17H22N2O5S2/c1-4-13-5-7-14(8-6-13)15-9-10-17(25-15)26(22,23)19(24-12(2)3)11-16(20)18-21/h5-10,12,21H,4,11H2,1-3H3,(H,18,20)
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n/an/a 680n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50294129
PNG
(2-(5-(4-Ethylphenyl)-N-isopropoxythiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C17H22N2O5S2/c1-4-13-5-7-14(8-6-13)15-9-10-17(25-15)26(22,23)19(24-12(2)3)11-16(20)18-21/h5-10,12,21H,4,11H2,1-3H3,(H,18,20)
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n/an/a 2.40E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50294129
PNG
(2-(5-(4-Ethylphenyl)-N-isopropoxythiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C17H22N2O5S2/c1-4-13-5-7-14(8-6-13)15-9-10-17(25-15)26(22,23)19(24-12(2)3)11-16(20)18-21/h5-10,12,21H,4,11H2,1-3H3,(H,18,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP1


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50294129
PNG
(2-(5-(4-Ethylphenyl)-N-isopropoxythiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C17H22N2O5S2/c1-4-13-5-7-14(8-6-13)15-9-10-17(25-15)26(22,23)19(24-12(2)3)11-16(20)18-21/h5-10,12,21H,4,11H2,1-3H3,(H,18,20)
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n/an/a 91n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP13-mediated collagen degradation by SDS-PAGE


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50294129
PNG
(2-(5-(4-Ethylphenyl)-N-isopropoxythiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C17H22N2O5S2/c1-4-13-5-7-14(8-6-13)15-9-10-17(25-15)26(22,23)19(24-12(2)3)11-16(20)18-21/h5-10,12,21H,4,11H2,1-3H3,(H,18,20)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP3


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50294129
PNG
(2-(5-(4-Ethylphenyl)-N-isopropoxythiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C17H22N2O5S2/c1-4-13-5-7-14(8-6-13)15-9-10-17(25-15)26(22,23)19(24-12(2)3)11-16(20)18-21/h5-10,12,21H,4,11H2,1-3H3,(H,18,20)
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n/an/a 140n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP8


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50294129
PNG
(2-(5-(4-Ethylphenyl)-N-isopropoxythiophene-2-sulfo...)
Show SMILES CCc1ccc(cc1)-c1ccc(s1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C17H22N2O5S2/c1-4-13-5-7-14(8-6-13)15-9-10-17(25-15)26(22,23)19(24-12(2)3)11-16(20)18-21/h5-10,12,21H,4,11H2,1-3H3,(H,18,20)
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n/an/a 56n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP2


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair