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BDBM50126624 8-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-quinoline-3-carboxylic acid hydroxyamide::8-bromo-N-hydroxy-4-(4-methoxy-N-(pyridin-3-ylmethyl)phenylsulfonamido)quinoline-3-carboxamide::CHEMBL38352

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(Br)cccc12)C(=O)NO

InChI Key: InChIKey=GKDAXRUOVHMLSA-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 = 50126624   
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))
BDBM50126624
PNG
(8-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(Br)cccc12)C(=O)NO
Show InChI InChI=1S/C23H19BrN4O5S/c1-33-16-7-9-17(10-8-16)34(31,32)28(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(29)27-30/h2-13,30H,14H2,1H3,(H,27,29)
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PubMed
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))
BDBM50126624
PNG
(8-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(Br)cccc12)C(=O)NO
Show InChI InChI=1S/C23H19BrN4O5S/c1-33-16-7-9-17(10-8-16)34(31,32)28(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(29)27-30/h2-13,30H,14H2,1H3,(H,27,29)
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PubMed
n/an/a 1n/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))
BDBM50126624
PNG
(8-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(Br)cccc12)C(=O)NO
Show InChI InChI=1S/C23H19BrN4O5S/c1-33-16-7-9-17(10-8-16)34(31,32)28(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(29)27-30/h2-13,30H,14H2,1H3,(H,27,29)
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Article
PubMed
n/an/a 65n/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
Interstitial collagenase


(Homo sapiens (Human))
BDBM50126624
PNG
(8-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(Br)cccc12)C(=O)NO
Show InChI InChI=1S/C23H19BrN4O5S/c1-33-16-7-9-17(10-8-16)34(31,32)28(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(29)27-30/h2-13,30H,14H2,1H3,(H,27,29)
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PubMed
n/an/a 65n/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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50126624
PNG
(8-Bromo-4-[(4-methoxy-benzenesulfonyl)-pyridin-3-y...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2c(Br)cccc12)C(=O)NO
Show InChI InChI=1S/C23H19BrN4O5S/c1-33-16-7-9-17(10-8-16)34(31,32)28(14-15-4-3-11-25-12-15)22-18-5-2-6-20(24)21(18)26-13-19(22)23(29)27-30/h2-13,30H,14H2,1H3,(H,27,29)
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PubMed
n/an/a 124n/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