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PubMed code 19665375

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301400
PNG
(4-(3,4,5-tribromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1[nH]c(Br)c(Br)c1Br
Show InChI InChI=1S/C10H6Br3N5/c11-4-5(12)9(13)17-7(4)8-6-3(1-2-15-8)16-10(14)18-6/h1-2,17H,(H3,14,16,18)
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n/an/a 1.24E+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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301402
PNG
(4-(4-bromo-5-chloro-1H-pyrrol-2-yl)-1H-imidazo[4,5...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c(Cl)[nH]1
Show InChI InChI=1S/C10H7BrClN5/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 2.02E+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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301414
PNG
(4-(3,5-dibromo-4-phenethyl-1H-pyrrol-2-yl)-1H-imid...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1[nH]c(Br)c(CCc2ccccc2)c1Br
Show InChI InChI=1S/C18H15Br2N5/c19-13-11(7-6-10-4-2-1-3-5-10)17(20)24-15(13)16-14-12(8-9-22-16)23-18(21)25-14/h1-5,8-9,24H,6-7H2,(H3,21,23,25)
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n/an/a 2.99E+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
Macrophage metalloelastase


(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



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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301409
PNG
(4-(3,5-dibromo-4-methyl-1H-pyrrol-2-yl)-1H-imidazo...)
Show SMILES Cc1c(Br)[nH]c(c1Br)-c1nccc2[nH]c(N)nc12
Show InChI InChI=1S/C11H9Br2N5/c1-4-6(12)8(17-10(4)13)9-7-5(2-3-15-9)16-11(14)18-7/h2-3,17H,1H3,(H3,14,16,18)
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n/an/a 5.02E+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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301401
PNG
(4-(4,5-dichloro-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]p...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Cl)c(Cl)[nH]1
Show InChI InChI=1S/C10H7Cl2N5/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 5.02E+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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301413
PNG
(4-(5-bromo-4-phenethyl-1H-pyrrol-2-yl)-1H-imidazo[...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(CCc2ccccc2)c(Br)[nH]1
Show InChI InChI=1S/C18H16BrN5/c19-17-12(7-6-11-4-2-1-3-5-11)10-14(22-17)15-16-13(8-9-21-15)23-18(20)24-16/h1-5,8-10,22H,6-7H2,(H3,20,23,24)
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n/an/a 1.02E+4n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301410
PNG
(4-(5-bromo-4-phenyl-1H-pyrrol-2-yl)-1H-imidazo[4,5...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(c(Br)[nH]1)-c1ccccc1
Show InChI InChI=1S/C16H12BrN5/c17-15-10(9-4-2-1-3-5-9)8-12(20-15)13-14-11(6-7-19-13)21-16(18)22-14/h1-8,20H,(H3,18,21,22)
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n/an/a 1.87E+4n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301405
PNG
(4-(4-bromo-5-phenyl-1H-pyrrol-2-yl)-1H-imidazo[4,5...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c([nH]1)-c1ccccc1
Show InChI InChI=1S/C16H12BrN5/c17-10-8-12(20-13(10)9-4-2-1-3-5-9)14-15-11(6-7-19-14)21-16(18)22-15/h1-8,20H,(H3,18,21,22)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301403
PNG
(4-(4-bromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5...)
Show SMILES Cc1[nH]c(cc1Br)-c1nccc2[nH]c(N)nc12
Show InChI InChI=1S/C11H10BrN5/c1-5-6(12)4-8(15-5)9-10-7(2-3-14-9)16-11(13)17-10/h2-4,15H,1H3,(H3,13,16,17)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301420
PNG
(4-(4,5-dibromo-3-phenethyl-1H-pyrrol-2-yl)-1H-imid...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1[nH]c(Br)c(Br)c1CCc1ccccc1
Show InChI InChI=1S/C18H15Br2N5/c19-13-11(7-6-10-4-2-1-3-5-10)14(24-17(13)20)16-15-12(8-9-22-16)23-18(21)25-15/h1-5,8-9,24H,6-7H2,(H3,21,23,25)
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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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301407
PNG
(4-(5-(biphenyl-4-yl)-4-bromo-1H-pyrrol-2-yl)-1H-im...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c([nH]1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16BrN5/c23-16-12-18(20-21-17(10-11-25-20)27-22(24)28-21)26-19(16)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12,26H,(H3,24,27,28)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301412
PNG
(4-(4-benzyl-3,5-dibromo-1H-pyrrol-2-yl)-1H-imidazo...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1[nH]c(Br)c(Cc2ccccc2)c1Br
Show InChI InChI=1S/C17H13Br2N5/c18-12-10(8-9-4-2-1-3-5-9)16(19)23-14(12)15-13-11(6-7-21-15)22-17(20)24-13/h1-7,23H,8H2,(H3,20,22,24)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301416
PNG
(4-(3,5-dibromo-4-(3-(trifluoromethyl)phenethyl)-1H...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1[nH]c(Br)c(CCc2cccc(c2)C(F)(F)F)c1Br
Show InChI InChI=1S/C19H14Br2F3N5/c20-13-11(5-4-9-2-1-3-10(8-9)19(22,23)24)17(21)28-15(13)16-14-12(6-7-26-16)27-18(25)29-14/h1-3,6-8,28H,4-5H2,(H3,25,27,29)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50215928
PNG
(4-(4-bromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridi...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c[nH]1
Show InChI InChI=1S/C10H8BrN5/c11-5-3-7(14-4-5)8-9-6(1-2-13-8)15-10(12)16-9/h1-4,14H,(H3,12,15,16)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301404
PNG
(4-(3,4-dibromo-5-methyl-1H-pyrrol-2-yl)-1H-imidazo...)
Show SMILES Cc1[nH]c(c(Br)c1Br)-c1nccc2[nH]c(N)nc12
Show InChI InChI=1S/C11H9Br2N5/c1-4-6(12)7(13)9(16-4)10-8-5(2-3-15-10)17-11(14)18-8/h2-3,16H,1H3,(H3,14,17,18)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301415
PNG
(4-(3,5-dibromo-4-(2-(trifluoromethyl)phenethyl)-1H...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1[nH]c(Br)c(CCc2ccccc2C(F)(F)F)c1Br
Show InChI InChI=1S/C19H14Br2F3N5/c20-13-10(6-5-9-3-1-2-4-11(9)19(22,23)24)17(21)28-15(13)16-14-12(7-8-26-16)27-18(25)29-14/h1-4,7-8,28H,5-6H2,(H3,25,27,29)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301411
PNG
(4-(4-benzyl-5-bromo-1H-pyrrol-2-yl)-1H-imidazo[4,5...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Cc2ccccc2)c(Br)[nH]1
Show InChI InChI=1S/C17H14BrN5/c18-16-11(8-10-4-2-1-3-5-10)9-13(21-16)14-15-12(6-7-20-14)22-17(19)23-15/h1-7,9,21H,8H2,(H3,19,22,23)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301408
PNG
(4-(5-bromo-4-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5...)
Show SMILES Cc1cc([nH]c1Br)-c1nccc2[nH]c(N)nc12
Show InChI InChI=1S/C11H10BrN5/c1-5-4-7(15-10(5)12)8-9-6(2-3-14-8)16-11(13)17-9/h2-4,15H,1H3,(H3,13,16,17)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301406
PNG
(4-(5-(biphenyl-3-yl)-4-bromo-1H-pyrrol-2-yl)-1H-im...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(Br)c([nH]1)-c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C22H16BrN5/c23-16-12-18(20-21-17(9-10-25-20)27-22(24)28-21)26-19(16)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12,26H,(H3,24,27,28)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301418
PNG
(4-(5-bromo-4-(3-phenylpropyl)-1H-pyrrol-2-yl)-1H-i...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1cc(CCCc2ccccc2)c(Br)[nH]1
Show InChI InChI=1S/C19H18BrN5/c20-18-13(8-4-7-12-5-2-1-3-6-12)11-15(23-18)16-17-14(9-10-22-16)24-19(21)25-17/h1-3,5-6,9-11,23H,4,7-8H2,(H3,21,24,25)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301419
PNG
(4-(3,5-dibromo-4-(3-phenylpropyl)-1H-pyrrol-2-yl)-...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1[nH]c(Br)c(CCCc2ccccc2)c1Br
Show InChI InChI=1S/C19H17Br2N5/c20-14-12(8-4-7-11-5-2-1-3-6-11)18(21)25-16(14)17-15-13(9-10-23-17)24-19(22)26-15/h1-3,5-6,9-10,25H,4,7-8H2,(H3,22,24,26)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50215930
PNG
(4-(5-bromo-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridi...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccc(Br)[nH]1
Show InChI InChI=1S/C10H8BrN5/c11-7-2-1-5(14-7)8-9-6(3-4-13-8)15-10(12)16-9/h1-4,14H,(H3,12,15,16)
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n/an/a>1.00E+5n/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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50301417
PNG
(4-(3,5-dibromo-4-(4-(trifluoromethyl)phenethyl)-1H...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1[nH]c(Br)c(CCc2ccc(cc2)C(F)(F)F)c1Br
Show InChI InChI=1S/C19H14Br2F3N5/c20-13-11(6-3-9-1-4-10(5-2-9)19(22,23)24)17(21)28-15(13)16-14-12(7-8-26-16)27-18(25)29-14/h1-2,4-5,7-8,28H,3,6H2,(H3,25,27,29)
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n/an/a>1.00E+5n/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
* indicates data uncertainty>20%