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BDBM50071835 4-Benzoyl-1-(4-methoxy-benzenesulfonyl)-[1,4]diazepane-2-carboxylic acid hydroxyamide::4-benzoyl-N-hydroxy-1-(4-methoxyphenylsulfonyl)-1,4-diazepane-2-carboxamide::CHEMBL327621

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1

InChI Key: InChIKey=KPJZJSWNHXZALM-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50071835   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50071835
PNG
(4-Benzoyl-1-(4-methoxy-benzenesulfonyl)-[1,4]diaze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O6S/c1-29-16-8-10-17(11-9-16)30(27,28)23-13-5-12-22(14-18(23)19(24)21-26)20(25)15-6-3-2-4-7-15/h2-4,6-11,18,26H,5,12-14H2,1H3,(H,21,24)
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PubMed
n/an/a 2.20n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 8: 2657-62 (1999)


BindingDB Entry DOI: 10.7270/Q28K79KZ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50071835
PNG
(4-Benzoyl-1-(4-methoxy-benzenesulfonyl)-[1,4]diaze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O6S/c1-29-16-8-10-17(11-9-16)30(27,28)23-13-5-12-22(14-18(23)19(24)21-26)20(25)15-6-3-2-4-7-15/h2-4,6-11,18,26H,5,12-14H2,1H3,(H,21,24)
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Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50071835
PNG
(4-Benzoyl-1-(4-methoxy-benzenesulfonyl)-[1,4]diaze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O6S/c1-29-16-8-10-17(11-9-16)30(27,28)23-13-5-12-22(14-18(23)19(24)21-26)20(25)15-6-3-2-4-7-15/h2-4,6-11,18,26H,5,12-14H2,1H3,(H,21,24)
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n/an/a 45n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1 (MMP-1)


Bioorg Med Chem Lett 8: 2657-62 (1999)


BindingDB Entry DOI: 10.7270/Q28K79KZ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50071835
PNG
(4-Benzoyl-1-(4-methoxy-benzenesulfonyl)-[1,4]diaze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1
Show InChI InChI=1S/C20H23N3O6S/c1-29-16-8-10-17(11-9-16)30(27,28)23-13-5-12-22(14-18(23)19(24)21-26)20(25)15-6-3-2-4-7-15/h2-4,6-11,18,26H,5,12-14H2,1H3,(H,21,24)
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PubMed
n/an/a 2n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9 (MMP-9)


Bioorg Med Chem Lett 8: 2657-62 (1999)


BindingDB Entry DOI: 10.7270/Q28K79KZ
More data for this
Ligand-Target Pair