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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50096466'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096466
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C22H19F3N2O5S/c1-32-16-10-12-17(13-11-16)33(30,31)27(14-15-6-3-2-4-7-15)20-18(21(28)26-29)8-5-9-19(20)22(23,24)25/h2-13,29H,14H2,1H3,(H,26,28)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


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
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50096466
PNG
(2-(N-benzyl-4-methoxyphenylsulfonamido)-N-hydroxy-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(cccc1C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C22H19F3N2O5S/c1-32-16-10-12-17(13-11-16)33(30,31)27(14-15-6-3-2-4-7-15)20-18(21(28)26-29)8-5-9-19(20)22(23,24)25/h2-13,29H,14H2,1H3,(H,26,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 27n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Matrix metalloprotease-9


Bioorg Med Chem Lett 11: 235-8 (2001)


BindingDB Entry DOI: 10.7270/Q2TH8N78
More data for this
Ligand-Target Pair