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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM13084'   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM13084
PNG
(2-[(4-fluorobenzene)(2-methylpropyl)sulfonamido]-N...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C12H17FN2O4S/c1-9(2)7-15(8-12(16)14-17)20(18,19)11-5-3-10(13)4-6-11/h3-6,9,17H,7-8H2,1-2H3,(H,14,16)
PDB
MMDB

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PC sid
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Similars

Article
PubMed
3.24E+3n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP3


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
Stromelysin-1


(Homo sapiens (Human))
BDBM13084
PNG
(2-[(4-fluorobenzene)(2-methylpropyl)sulfonamido]-N...)
Show SMILES CC(C)CN(CC(=O)NO)S(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C12H17FN2O4S/c1-9(2)7-15(8-12(16)14-17)20(18,19)11-5-3-10(13)4-6-11/h3-6,9,17H,7-8H2,1-2H3,(H,14,16)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
3.27E+3 -32.6n/an/an/an/an/a7.537



Novartis Pharmaceuticals



Assay Description
Stromelysin inhibitory activity is based on the hydrolysis of substance P by recombinant human stromelysin to generate a fragment, substance P 7-11, ...


J Med Chem 40: 2525-32 (1997)


Article DOI: 10.1021/jm960871c
BindingDB Entry DOI: 10.7270/Q2MW2FC7
More data for this
Ligand-Target Pair