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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 = 'BDBM50128611'   
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))
BDBM50128611
PNG
((R,E)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(C\C=C\c1ccccc1)C(=O)NO
Show InChI InChI=1S/C19H21NO5S/c1-19(18(21)20-22,14-6-9-15-7-4-3-5-8-15)26(23,24)17-12-10-16(25-2)11-13-17/h3-13,22H,14H2,1-2H3,(H,20,21)/b9-6+
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128611
PNG
((R,E)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(C\C=C\c1ccccc1)C(=O)NO
Show InChI InChI=1S/C19H21NO5S/c1-19(18(21)20-22,14-6-9-15-7-4-3-5-8-15)26(23,24)17-12-10-16(25-2)11-13-17/h3-13,22H,14H2,1-2H3,(H,20,21)/b9-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of matrix metalloprotease-9


J Med Chem 46: 2361-75 (2003)


Article DOI: 10.1021/jm0205548
BindingDB Entry DOI: 10.7270/Q2RR1ZZJ
More data for this
Ligand-Target Pair