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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM82186'   
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))
BDBM82186
PNG
(AM-5)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-15-4-8-17(9-5-15)16-6-2-14(11-22)3-7-16/h2-10,25H,12H2,1H3,(H,23,26)
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 18: 409-13 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.045
BindingDB Entry DOI: 10.7270/Q2833SWF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM82186
PNG
(AM-5)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-15-4-8-17(9-5-15)16-6-2-14(11-22)3-7-16/h2-10,25H,12H2,1H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of California at San Diego



Assay Description
Inhibition assay using matrix metalloproteinases.


Chem Biol Drug Des 78: 191-8 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01148.x
BindingDB Entry DOI: 10.7270/Q2KD1WDJ
More data for this
Ligand-Target Pair