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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 = 'BDBM50131521'   
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))
BDBM50131521
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydro...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C15H20N2O5S/c1-4-5-10-22-12-6-8-13(9-7-12)23(20,21)17-14(11(2)3)15(18)16-19/h6-9,11,14,17,19H,10H2,1-3H3,(H,16,18)/t14-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 42n/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))
BDBM50131521
PNG
((R)-2-(4-(but-2-ynyloxy)phenylsulfonamido)-N-hydro...)
Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C15H20N2O5S/c1-4-5-10-22-12-6-8-13(9-7-12)23(20,21)17-14(11(2)3)15(18)16-19/h6-9,11,14,17,19H,10H2,1-3H3,(H,16,18)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 42n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloprotein-9


Bioorg Med Chem Lett 13: 2799-803 (2003)


BindingDB Entry DOI: 10.7270/Q21N80H7
More data for this
Ligand-Target Pair