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BDBM50095556 1-(4-Methoxy-benzenesulfonyl)-4-(4-methoxy-benzenesulfonylamino)-pyrrolidine-2-carboxylic acid hydroxyamide::CHEMBL147910

SMILES: COc1ccc(cc1)S(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO

InChI Key: InChIKey=LKSVLIAQUIGTTF-SCLBCKFNSA-N

Data: 5 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 5 hits for monomerid = 50095556   
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-7 (MMP7)


(Homo sapiens (Human))
BDBM50095556
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-(4-methoxy-benzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-3-7-16(8-4-14)31(25,26)21-13-11-18(19(23)20-24)22(12-13)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,13,18,21,24H,11-12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase-7 (matrilysin, MMP-7)


J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50095556
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-(4-methoxy-benzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-3-7-16(8-4-14)31(25,26)21-13-11-18(19(23)20-24)22(12-13)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,13,18,21,24H,11-12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human recombinant matrix metalloproteinase-13 (collagenase-3)


J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50095556
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-(4-methoxy-benzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-3-7-16(8-4-14)31(25,26)21-13-11-18(19(23)20-24)22(12-13)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,13,18,21,24H,11-12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -3 (stromelysin)


J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50095556
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-(4-methoxy-benzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-3-7-16(8-4-14)31(25,26)21-13-11-18(19(23)20-24)22(12-13)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,13,18,21,24H,11-12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -2 (gelatinase-A)


J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50095556
PNG
(1-(4-Methoxy-benzenesulfonyl)-4-(4-methoxy-benzene...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H]1C[C@@H](N(C1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C19H23N3O8S2/c1-29-14-3-7-16(8-4-14)31(25,26)21-13-11-18(19(23)20-24)22(12-13)32(27,28)17-9-5-15(30-2)6-10-17/h3-10,13,18,21,24H,11-12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloproteinase -1 (collagenase-1)


J Med Chem 43: 4948-63 (2001)


BindingDB Entry DOI: 10.7270/Q21N80DW
More data for this
Ligand-Target Pair