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BDBM50071841 4-(Biphenyl-2-carbonyl)-1-(4-methoxy-benzenesulfonyl)-[1,4]diazepane-2-carboxylic acid hydroxyamide::CHEMBL327442

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

InChI Key: InChIKey=RWPUCYUUOPJZLU-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 = 50071841   
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))
BDBM50071841
PNG
(4-(Biphenyl-2-carbonyl)-1-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H27N3O6S/c1-35-20-12-14-21(15-13-20)36(33,34)29-17-7-16-28(18-24(29)25(30)27-32)26(31)23-11-6-5-10-22(23)19-8-3-2-4-9-19/h2-6,8-15,24,32H,7,16-18H2,1H3,(H,27,30)
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PubMed
n/an/a 116n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50071841
PNG
(4-(Biphenyl-2-carbonyl)-1-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H27N3O6S/c1-35-20-12-14-21(15-13-20)36(33,34)29-17-7-16-28(18-24(29)25(30)27-32)26(31)23-11-6-5-10-22(23)19-8-3-2-4-9-19/h2-6,8-15,24,32H,7,16-18H2,1H3,(H,27,30)
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Article
PubMed
n/an/a 4.60n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50071841
PNG
(4-(Biphenyl-2-carbonyl)-1-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H27N3O6S/c1-35-20-12-14-21(15-13-20)36(33,34)29-17-7-16-28(18-24(29)25(30)27-32)26(31)23-11-6-5-10-22(23)19-8-3-2-4-9-19/h2-6,8-15,24,32H,7,16-18H2,1H3,(H,27,30)
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n/an/a 3.30n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50071841
PNG
(4-(Biphenyl-2-carbonyl)-1-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCCN(CC1C(=O)NO)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H27N3O6S/c1-35-20-12-14-21(15-13-20)36(33,34)29-17-7-16-28(18-24(29)25(30)27-32)26(31)23-11-6-5-10-22(23)19-8-3-2-4-9-19/h2-6,8-15,24,32H,7,16-18H2,1H3,(H,27,30)
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PubMed
n/an/a 4.60n/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