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BDBM50103167 2-[(4'-Benzyloxy-biphenyl-4-sulfonyl)-methyl-amino]-5-bromo-N-hydroxy-3-methyl-benzamide::CHEMBL67590

SMILES: CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2)cc1

InChI Key: InChIKey=FJRQWHSKVHCEKG-UHFFFAOYSA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50103167   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50103167
PNG
(2-[(4'-Benzyloxy-biphenyl-4-sulfonyl)-methyl-amino...)
Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C28H25BrN2O5S/c1-19-16-23(29)17-26(28(32)30-33)27(19)31(2)37(34,35)25-14-10-22(11-15-25)21-8-12-24(13-9-21)36-18-20-6-4-3-5-7-20/h3-17,33H,18H2,1-2H3,(H,30,32)
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/a 57n/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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50103167
PNG
(2-[(4'-Benzyloxy-biphenyl-4-sulfonyl)-methyl-amino...)
Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C28H25BrN2O5S/c1-19-16-23(29)17-26(28(32)30-33)27(19)31(2)37(34,35)25-14-10-22(11-15-25)21-8-12-24(13-9-21)36-18-20-6-4-3-5-7-20/h3-17,33H,18H2,1-2H3,(H,30,32)
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PC sid
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PubMed
n/an/a 189n/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
Collagenase 3


(Homo sapiens (Human))
BDBM50103167
PNG
(2-[(4'-Benzyloxy-biphenyl-4-sulfonyl)-methyl-amino...)
Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C28H25BrN2O5S/c1-19-16-23(29)17-26(28(32)30-33)27(19)31(2)37(34,35)25-14-10-22(11-15-25)21-8-12-24(13-9-21)36-18-20-6-4-3-5-7-20/h3-17,33H,18H2,1-2H3,(H,30,32)
PDB
MMDB

NCI pathway
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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 163n/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