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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-12 (MMP12)' and Ligand = 'BDBM50215926'   
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-12 (MMP12)


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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Article
PubMed
n/an/a 0.330n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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n/an/a 3.66E+3n/an/an/an/an/an/a



Wroclaw University of Economics

Curated by ChEMBL


Assay Description
Inhibition of MMP12 (unknown origin)


Bioorg Med Chem 23: 6087-99 (2015)


BindingDB Entry DOI: 10.7270/Q2S75J31
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
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PubMed
n/an/a 3.66E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human MMP12 catalytic domain


Bioorg Med Chem Lett 19: 5461-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.099
BindingDB Entry DOI: 10.7270/Q2HX1CRC
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50215926
PNG
(4-(4,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]py...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C10H7Br2N5/c11-4-3-6(15-9(4)12)7-8-5(1-2-14-7)16-10(13)17-8/h1-3,15H,(H3,13,16,17)
PDB
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Article
PubMed
n/an/a 3.66E+3n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 4495-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.005
BindingDB Entry DOI: 10.7270/Q2MW2GVX
More data for this
Ligand-Target Pair