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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 = 'BDBM50088128'   
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))
BDBM50088128
PNG
(2-(N-(4-nitrobenzyl)-4,4,12,12,15,15,18,18,18-nona...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
2n/an/an/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))
BDBM50088128
PNG
(2-(N-(4-nitrobenzyl)-4,4,12,12,15,15,18,18,18-nona...)
Show SMILES ONC(=O)CN(Cc1ccc(cc1)[N+]([O-])=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Show InChI InChI=1S/C13H10F9N3O6S/c14-10(15,12(18,19)20)11(16,17)13(21,22)32(30,31)24(6-9(26)23-27)5-7-1-3-8(4-2-7)25(28)29/h1-4,27H,5-6H2,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2n/an/an/an/an/an/an/an/a



Università degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against the Matrix metalloprotease-9


J Med Chem 43: 1858-65 (2000)


BindingDB Entry DOI: 10.7270/Q2ZW1K4G
More data for this
Ligand-Target Pair