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BDBM50098920 (R)-4-(4-Methoxy-benzenesulfonyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-[1,4]diazepane-5-carboxylic acid hydroxyamide::CHEMBL268114

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)S(=O)(=O)c1cn(C)cn1

InChI Key: InChIKey=CNDCCBOSTVCBMM-OAHLLOKOSA-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 = 50098920   
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 13


(Rattus norvegicus)
BDBM50098920
PNG
((R)-4-(4-Methoxy-benzenesulfonyl)-1-(1-methyl-1H-i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C17H23N5O7S2/c1-20-11-16(18-12-20)31(27,28)21-8-7-15(17(23)19-24)22(10-9-21)30(25,26)14-5-3-13(29-2)4-6-14/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,19,23)/t15-/m1/s1
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PC sid
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PubMed
n/an/a 2.40n/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)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50098920
PNG
((R)-4-(4-Methoxy-benzenesulfonyl)-1-(1-methyl-1H-i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C17H23N5O7S2/c1-20-11-16(18-12-20)31(27,28)21-8-7-15(17(23)19-24)22(10-9-21)30(25,26)14-5-3-13(29-2)4-6-14/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,19,23)/t15-/m1/s1
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n/an/a 346n/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)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50098920
PNG
((R)-4-(4-Methoxy-benzenesulfonyl)-1-(1-methyl-1H-i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C17H23N5O7S2/c1-20-11-16(18-12-20)31(27,28)21-8-7-15(17(23)19-24)22(10-9-21)30(25,26)14-5-3-13(29-2)4-6-14/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,19,23)/t15-/m1/s1
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n/an/a 5.5n/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)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50098920
PNG
((R)-4-(4-Methoxy-benzenesulfonyl)-1-(1-methyl-1H-i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C17H23N5O7S2/c1-20-11-16(18-12-20)31(27,28)21-8-7-15(17(23)19-24)22(10-9-21)30(25,26)14-5-3-13(29-2)4-6-14/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,19,23)/t15-/m1/s1
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n/an/a 39n/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)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50098920
PNG
((R)-4-(4-Methoxy-benzenesulfonyl)-1-(1-methyl-1H-i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C17H23N5O7S2/c1-20-11-16(18-12-20)31(27,28)21-8-7-15(17(23)19-24)22(10-9-21)30(25,26)14-5-3-13(29-2)4-6-14/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,19,23)/t15-/m1/s1
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n/an/a 2.78E+3n/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)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50098920
PNG
((R)-4-(4-Methoxy-benzenesulfonyl)-1-(1-methyl-1H-i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C17H23N5O7S2/c1-20-11-16(18-12-20)31(27,28)21-8-7-15(17(23)19-24)22(10-9-21)30(25,26)14-5-3-13(29-2)4-6-14/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,19,23)/t15-/m1/s1
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n/an/a 6.60n/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)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50098920
PNG
((R)-4-(4-Methoxy-benzenesulfonyl)-1-(1-methyl-1H-i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C17H23N5O7S2/c1-20-11-16(18-12-20)31(27,28)21-8-7-15(17(23)19-24)22(10-9-21)30(25,26)14-5-3-13(29-2)4-6-14/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,19,23)/t15-/m1/s1
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n/an/a 2.70n/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)


BindingDB Entry DOI: 10.7270/Q2X34Z04
More data for this
Ligand-Target Pair