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BDBM50098914 (R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-[1,4]diazepane-1-carboxylic acid benzyl ester::CHEMBL267939

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1

InChI Key: InChIKey=XDYZXHJJAIXYOR-LJQANCHMSA-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 = 50098914   
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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 97n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 737n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-7


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human Matrix metalloprotease-2


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-8


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-3


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 1009-13 (2001)


Article DOI: 10.1016/s0960-894x(01)00137-8
BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair