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BDBM50103171 4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-amino]-5-methyl-3'-trifluoromethyl-biphenyl-3-carboxylic acid hydroxyamide::CHEMBL304730

SMILES: COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=RMZUAMXVNUZHBB-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50103171   
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))
BDBM50103171
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N3O5S/c1-18-13-21(20-6-3-7-22(14-20)28(29,30)31)15-25(27(35)33-36)26(18)34(17-19-5-4-12-32-16-19)40(37,38)24-10-8-23(39-2)9-11-24/h3-16,36H,17H2,1-2H3,(H,33,35)
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n/an/a 542n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotease-1


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50103171
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N3O5S/c1-18-13-21(20-6-3-7-22(14-20)28(29,30)31)15-25(27(35)33-36)26(18)34(17-19-5-4-12-32-16-19)40(37,38)24-10-8-23(39-2)9-11-24/h3-16,36H,17H2,1-2H3,(H,33,35)
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n/an/a 294n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro inhibition of TNF-alpha converting enzyme (TACE)


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50103171
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N3O5S/c1-18-13-21(20-6-3-7-22(14-20)28(29,30)31)15-25(27(35)33-36)26(18)34(17-19-5-4-12-32-16-19)40(37,38)24-10-8-23(39-2)9-11-24/h3-16,36H,17H2,1-2H3,(H,33,35)
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n/an/a 2n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103171
PNG
(4-[(4-Methoxy-benzenesulfonyl)-pyridin-3-ylmethyl-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)c1c(C)cc(cc1C(=O)NO)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H24F3N3O5S/c1-18-13-21(20-6-3-7-22(14-20)28(29,30)31)15-25(27(35)33-36)26(18)34(17-19-5-4-12-32-16-19)40(37,38)24-10-8-23(39-2)9-11-24/h3-16,36H,17H2,1-2H3,(H,33,35)
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n/an/a 1n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro ability to inhibit matrix metalloprotease-9.


Bioorg Med Chem Lett 11: 2189-92 (2001)


BindingDB Entry DOI: 10.7270/Q2154HK0
More data for this
Ligand-Target Pair