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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 = 'BDBM11362'   
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))
BDBM11362
PNG
(2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...)
Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
5n/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))
BDBM11362
PNG
(2-{[(2-chlorophenyl)methyl](1,1,2,2,3,3,4,4,4-nona...)
Show SMILES CC(N(Cc1ccccc1Cl)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)NO
Show InChI InChI=1S/C14H12ClF9N2O4S/c1-7(10(27)25-28)26(6-8-4-2-3-5-9(8)15)31(29,30)14(23,24)12(18,19)11(16,17)13(20,21)22/h2-5,7,28H,6H2,1H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair