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BDBM50299055 CHEMBL573936::[2-(4'-Methoxy-biphenyl-4-sulfonyl)phenyl]acetic Acid

SMILES: COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O

InChI Key: InChIKey=FIPYOKGRSDJCAR-UHFFFAOYSA-N

Data: 14 IC50

PDB links: 1 PDB ID matches this monomer.

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 14 hits for monomerid = 50299055   
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))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 730n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human recombinant pro-MMP9 catalytic domain after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 150n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 1 hr preincubation by fluorometry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 140n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 740n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP14 catalytic domain after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human recombinant pro-MMP2 catalytic domain after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 78n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP13 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 140n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate a...


J Med Chem 61: 4421-4435 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00096
BindingDB Entry DOI: 10.7270/Q26H4M12
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 730n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant pro-MMP16 catalytic domain after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP1 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of trypsin activated human pro-MMP3 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 170n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of autoactivated human pro-MMP12 after 30 mins preincubation by fluorometry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 47n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ad...


J Med Chem 61: 4421-4435 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00096
BindingDB Entry DOI: 10.7270/Q26H4M12
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 730n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MMP-9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 3 hrs followed by substrate ad...


J Med Chem 61: 4421-4435 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00096
BindingDB Entry DOI: 10.7270/Q26H4M12
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50299055
PNG
(CHEMBL573936 | [2-(4'-Methoxy-biphenyl-4-sulfonyl)...)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)c1ccccc1CC(O)=O
Show InChI InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
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n/an/a 99n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of para-aminophenylmercuric acetate-activated human pro-MMP8 after 4 hrs by fluorimetry


J Med Chem 52: 6347-61 (2009)


Article DOI: 10.1021/jm900335a
BindingDB Entry DOI: 10.7270/Q2HQ3ZZS
More data for this
Ligand-Target Pair