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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 = 'BDBM50137279'   
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))
BDBM50137279
PNG
(6-Hydroxy-2-(4-nitro-benzenesulfonyl)-1,2,3,4-tetr...)
Show SMILES ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15N3O7S/c20-12-3-6-14-10(9-12)7-8-18(15(14)16(21)17-22)27(25,26)13-4-1-11(2-5-13)19(23)24/h1-6,9,15,20,22H,7-8H2,(H,17,21)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Indian Institute of Technology (BHU)

Curated by ChEMBL


Assay Description
Inhibition of MMP9 (unknown origin)


Eur J Med Chem 60: 89-100 (2013)


Article DOI: 10.1016/j.ejmech.2012.10.016
BindingDB Entry DOI: 10.7270/Q2MC91CR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50137279
PNG
(6-Hydroxy-2-(4-nitro-benzenesulfonyl)-1,2,3,4-tetr...)
Show SMILES ONC(=O)C1N(CCc2cc(O)ccc12)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C16H15N3O7S/c20-12-3-6-14-10(9-12)7-8-18(15(14)16(21)17-22)27(25,26)13-4-1-11(2-5-13)19(23)24/h1-6,9,15,20,22H,7-8H2,(H,17,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 258n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9 (MMP-9)


Bioorg Med Chem Lett 14: 47-50 (2003)


BindingDB Entry DOI: 10.7270/Q22J6B79
More data for this
Ligand-Target Pair