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BDBM50126609 4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid hydroxyamide::CHEMBL429336

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2n(nc(C)c12)-c1ccccc1)C(=O)NO

InChI Key: InChIKey=KWWNNPAPYSJGQH-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50126609   
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))
BDBM50126609
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2n(nc(C)c12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H24N6O5S/c1-18-24-25(23(27(34)31-35)16-29-26(24)33(30-18)20-8-4-3-5-9-20)32(17-19-7-6-14-28-15-19)39(36,37)22-12-10-21(38-2)11-13-22/h3-16,35H,17H2,1-2H3,(H,31,34)
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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))
BDBM50126609
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2n(nc(C)c12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H24N6O5S/c1-18-24-25(23(27(34)31-35)16-29-26(24)33(30-18)20-8-4-3-5-9-20)32(17-19-7-6-14-28-15-19)39(36,37)22-12-10-21(38-2)11-13-22/h3-16,35H,17H2,1-2H3,(H,31,34)
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n/an/a 3n/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))
BDBM50126609
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2n(nc(C)c12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H24N6O5S/c1-18-24-25(23(27(34)31-35)16-29-26(24)33(30-18)20-8-4-3-5-9-20)32(17-19-7-6-14-28-15-19)39(36,37)22-12-10-21(38-2)11-13-22/h3-16,35H,17H2,1-2H3,(H,31,34)
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n/an/a 115n/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))
BDBM50126609
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(cnc2n(nc(C)c12)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H24N6O5S/c1-18-24-25(23(27(34)31-35)16-29-26(24)33(30-18)20-8-4-3-5-9-20)32(17-19-7-6-14-28-15-19)39(36,37)22-12-10-21(38-2)11-13-22/h3-16,35H,17H2,1-2H3,(H,31,34)
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n/an/a 138n/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