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BDBM50126604 4-(N-benzyl-4-methoxyphenylsulfonamido)-8-ethyl-N-hydroxyquinoline-3-carboxamide::4-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-8-ethyl-quinoline-3-carboxylic acid hydroxyamide::CHEMBL290948

SMILES: CCc1cccc2c(N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c(cnc12)C(=O)NO

InChI Key: InChIKey=OMMFNEZCURCLPN-UHFFFAOYSA-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 = 50126604   
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-9


(Homo sapiens (Human))
BDBM50126604
PNG
(4-(N-benzyl-4-methoxyphenylsulfonamido)-8-ethyl-N-...)
Show SMILES CCc1cccc2c(N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c(cnc12)C(=O)NO
Show InChI InChI=1S/C26H25N3O5S/c1-3-19-10-7-11-22-24(19)27-16-23(26(30)28-31)25(22)29(17-18-8-5-4-6-9-18)35(32,33)21-14-12-20(34-2)13-15-21/h4-16,31H,3,17H2,1-2H3,(H,28,30)
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n/an/a 2n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 9 (MMP-9).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50126604
PNG
(4-(N-benzyl-4-methoxyphenylsulfonamido)-8-ethyl-N-...)
Show SMILES CCc1cccc2c(N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c(cnc12)C(=O)NO
Show InChI InChI=1S/C26H25N3O5S/c1-3-19-10-7-11-22-24(19)27-16-23(26(30)28-31)25(22)29(17-18-8-5-4-6-9-18)35(32,33)21-14-12-20(34-2)13-15-21/h4-16,31H,3,17H2,1-2H3,(H,28,30)
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n/an/a 4n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 13 (MMP-13).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50126604
PNG
(4-(N-benzyl-4-methoxyphenylsulfonamido)-8-ethyl-N-...)
Show SMILES CCc1cccc2c(N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c(cnc12)C(=O)NO
Show InChI InChI=1S/C26H25N3O5S/c1-3-19-10-7-11-22-24(19)27-16-23(26(30)28-31)25(22)29(17-18-8-5-4-6-9-18)35(32,33)21-14-12-20(34-2)13-15-21/h4-16,31H,3,17H2,1-2H3,(H,28,30)
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Article
PubMed
n/an/a 191n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP1


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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50126604
PNG
(4-(N-benzyl-4-methoxyphenylsulfonamido)-8-ethyl-N-...)
Show SMILES CCc1cccc2c(N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c(cnc12)C(=O)NO
Show InChI InChI=1S/C26H25N3O5S/c1-3-19-10-7-11-22-24(19)27-16-23(26(30)28-31)25(22)29(17-18-8-5-4-6-9-18)35(32,33)21-14-12-20(34-2)13-15-21/h4-16,31H,3,17H2,1-2H3,(H,28,30)
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n/an/a 314n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against TACE.


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50126604
PNG
(4-(N-benzyl-4-methoxyphenylsulfonamido)-8-ethyl-N-...)
Show SMILES CCc1cccc2c(N(Cc3ccccc3)S(=O)(=O)c3ccc(OC)cc3)c(cnc12)C(=O)NO
Show InChI InChI=1S/C26H25N3O5S/c1-3-19-10-7-11-22-24(19)27-16-23(26(30)28-31)25(22)29(17-18-8-5-4-6-9-18)35(32,33)21-14-12-20(34-2)13-15-21/h4-16,31H,3,17H2,1-2H3,(H,28,30)
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PubMed
n/an/a 192n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloproteinase 1 (MMP-1).


Bioorg Med Chem Lett 13: 1487-90 (2003)


BindingDB Entry DOI: 10.7270/Q29W0DW0
More data for this
Ligand-Target Pair