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PubMed code 18029173

Compile Data Set for Download or QSAR

Found 316 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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227574
PNG
(3-phenoxybenzyl 6-oxo-1,6-dihydropyridine-2-carbox...)
Show SMILES O=C(OCc1cccc(Oc2ccccc2)c1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C19H15NO4/c21-18-11-5-10-17(20-18)19(22)23-13-14-6-4-9-16(12-14)24-15-7-2-1-3-8-15/h1-12H,13H2,(H,20,21)
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n/an/a>150n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227595
PNG
(2-phenoxyethyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES O=C(OCCOc1ccccc1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C14H13NO4/c16-13-8-4-7-12(15-13)14(17)19-10-9-18-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16)
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n/an/a>150n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50227553
PNG
(6-oxo-1,6-dihydro-pyridine-2-carboxylic acid biphe...)
Show SMILES O=C(OCc1cccc(c1)-c1ccccc1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C19H15NO3/c21-18-11-5-10-17(20-18)19(22)23-13-14-6-4-9-16(12-14)15-7-2-1-3-8-15/h1-12H,13H2,(H,20,21)
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n/an/a>150n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50227549
PNG
(3-(trifluoromethyl)benzyl 6-oxo-1,6-dihydropyridin...)
Show SMILES FC(F)(F)c1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C14H10F3NO3/c15-14(16,17)10-4-1-3-9(7-10)8-21-13(20)11-5-2-6-12(19)18-11/h1-7H,8H2,(H,18,19)
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n/an/a>150n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50227574
PNG
(3-phenoxybenzyl 6-oxo-1,6-dihydropyridine-2-carbox...)
Show SMILES O=C(OCc1cccc(Oc2ccccc2)c1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C19H15NO4/c21-18-11-5-10-17(20-18)19(22)23-13-14-6-4-9-16(12-14)24-15-7-2-1-3-8-15/h1-12H,13H2,(H,20,21)
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n/an/a>150n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227549
PNG
(3-(trifluoromethyl)benzyl 6-oxo-1,6-dihydropyridin...)
Show SMILES FC(F)(F)c1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C14H10F3NO3/c15-14(16,17)10-4-1-3-9(7-10)8-21-13(20)11-5-2-6-12(19)18-11/h1-7H,8H2,(H,18,19)
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n/an/a>150n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50227557
PNG
(4-fluorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Fc1ccc(COC(=O)c2cccc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H10FNO3/c14-10-6-4-9(5-7-10)8-18-13(17)11-2-1-3-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 3.00E+3n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227589
PNG
(3-chlorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Clc1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H10ClNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 5.00E+3n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50227572
PNG
(6-mercapto-pyridine-2-carboxylic acid 3-methyl-ben...)
Show SMILES Cc1cccc(COC(=O)c2cccc(=S)[nH]2)c1
Show InChI InChI=1S/C14H13NO2S/c1-10-4-2-5-11(8-10)9-17-14(16)12-6-3-7-13(18)15-12/h2-8H,9H2,1H3,(H,15,18)
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n/an/a 7.00E+3n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227572
PNG
(6-mercapto-pyridine-2-carboxylic acid 3-methyl-ben...)
Show SMILES Cc1cccc(COC(=O)c2cccc(=S)[nH]2)c1
Show InChI InChI=1S/C14H13NO2S/c1-10-4-2-5-11(8-10)9-17-14(16)12-6-3-7-13(18)15-12/h2-8H,9H2,1H3,(H,15,18)
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n/an/a 7.00E+3n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227580
PNG
(2,4,6-trifluorobenzyl 6-oxo-1,6-dihydropyridine-2-...)
Show SMILES Fc1cc(F)c(COC(=O)c2cccc(=O)[nH]2)c(F)c1
Show InChI InChI=1S/C13H8F3NO3/c14-7-4-9(15)8(10(16)5-7)6-20-13(19)11-2-1-3-12(18)17-11/h1-5H,6H2,(H,17,18)
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n/an/a 1.60E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50227585
PNG
(3-fluorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Fc1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H10FNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 1.60E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50227576
PNG
(2,5-difluorobenzyl 6-mercaptopicolinate | CHEMBL40...)
Show SMILES Fc1ccc(F)c(COC(=O)c2cccc(=S)[nH]2)c1
Show InChI InChI=1S/C13H9F2NO2S/c14-9-4-5-10(15)8(6-9)7-18-13(17)11-2-1-3-12(19)16-11/h1-6H,7H2,(H,16,19)
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n/an/a 1.70E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227569
PNG
(2-bromobenzyl 6-oxo-1,6-dihydropyridine-2-carboxyl...)
Show SMILES Brc1ccccc1COC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C13H10BrNO3/c14-10-5-2-1-4-9(10)8-18-13(17)11-6-3-7-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 1.90E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227562
PNG
(CHEMBL253820 | perfluorobenzyl 6-oxo-1,6-dihydropy...)
Show SMILES Fc1c(F)c(F)c(COC(=O)c2cccc(=O)[nH]2)c(F)c1F
Show InChI InChI=1S/C13H6F5NO3/c14-8-5(9(15)11(17)12(18)10(8)16)4-22-13(21)6-2-1-3-7(20)19-6/h1-3H,4H2,(H,19,20)
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n/an/a 1.90E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50227534
PNG
(3,5-difluorobenzyl 6-oxo-1,6-dihydropyridine-2-car...)
Show SMILES Fc1cc(F)cc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H9F2NO3/c14-9-4-8(5-10(15)6-9)7-19-13(18)11-2-1-3-12(17)16-11/h1-6H,7H2,(H,16,17)
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n/an/a 2.00E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227564
PNG
(3-bromobenzyl 6-oxo-1,6-dihydropyridine-2-carboxyl...)
Show SMILES Brc1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H10BrNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 2.20E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227557
PNG
(4-fluorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Fc1ccc(COC(=O)c2cccc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H10FNO3/c14-10-6-4-9(5-7-10)8-18-13(17)11-2-1-3-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 2.30E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50371234
PNG
(CHEMBL1162966)
Show SMILES FC(F)(F)c1ccc(COC(=O)c2cccc(=O)[nH]2)cc1
Show InChI InChI=1S/C14H10F3NO3/c15-14(16,17)10-6-4-9(5-7-10)8-21-13(20)11-2-1-3-12(19)18-11/h1-7H,8H2,(H,18,19)
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n/an/a 2.40E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227589
PNG
(3-chlorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Clc1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H10ClNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 2.50E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227567
PNG
(CHEMBL251937 | cyclobutyl 6-oxo-1,6-dihydropyridin...)
Show SMILES O=C(OC1CCC1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C10H11NO3/c12-9-6-2-5-8(11-9)10(13)14-7-3-1-4-7/h2,5-7H,1,3-4H2,(H,11,12)
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n/an/a 2.50E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227571
PNG
(4-chlorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Clc1ccc(COC(=O)c2cccc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H10ClNO3/c14-10-6-4-9(5-7-10)8-18-13(17)11-2-1-3-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 2.60E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227549
PNG
(3-(trifluoromethyl)benzyl 6-oxo-1,6-dihydropyridin...)
Show SMILES FC(F)(F)c1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C14H10F3NO3/c15-14(16,17)10-4-1-3-9(7-10)8-21-13(20)11-5-2-6-12(19)18-11/h1-7H,8H2,(H,18,19)
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n/an/a 2.80E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227585
PNG
(3-fluorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Fc1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H10FNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 2.80E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227551
PNG
(CHEMBL399070 | benzyl 6-oxo-1,6-dihydropyridine-2-...)
Show SMILES O=C(OCc1ccccc1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C13H11NO3/c15-12-8-4-7-11(14-12)13(16)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,14,15)
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n/an/a 3.00E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227548
PNG
(2,4,5-trifluorobenzyl 6-oxo-1,6-dihydropyridine-2-...)
Show SMILES Fc1cc(F)c(COC(=O)c2cccc(=O)[nH]2)cc1F
Show InChI InChI=1S/C13H8F3NO3/c14-8-5-10(16)9(15)4-7(8)6-20-13(19)11-2-1-3-12(18)17-11/h1-5H,6H2,(H,17,18)
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n/an/a 3.00E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50227580
PNG
(2,4,6-trifluorobenzyl 6-oxo-1,6-dihydropyridine-2-...)
Show SMILES Fc1cc(F)c(COC(=O)c2cccc(=O)[nH]2)c(F)c1
Show InChI InChI=1S/C13H8F3NO3/c14-7-4-9(15)8(10(16)5-7)6-20-13(19)11-2-1-3-12(18)17-11/h1-5H,6H2,(H,17,18)
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n/an/a 3.10E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50227564
PNG
(3-bromobenzyl 6-oxo-1,6-dihydropyridine-2-carboxyl...)
Show SMILES Brc1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H10BrNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 3.10E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227603
PNG
(CHEMBL445939 | isopropyl 6-oxo-1,6-dihydropyridine...)
Show SMILES CC(C)OC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C9H11NO3/c1-6(2)13-9(12)7-4-3-5-8(11)10-7/h3-6H,1-2H3,(H,10,11)
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n/an/a 3.10E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227583
PNG
(CHEMBL254838 | cyclohexyl 6-oxo-1,6-dihydropyridin...)
Show SMILES O=C(OC1CCCCC1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C12H15NO3/c14-11-8-4-7-10(13-11)12(15)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14)
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n/an/a 3.20E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50227580
PNG
(2,4,6-trifluorobenzyl 6-oxo-1,6-dihydropyridine-2-...)
Show SMILES Fc1cc(F)c(COC(=O)c2cccc(=O)[nH]2)c(F)c1
Show InChI InChI=1S/C13H8F3NO3/c14-7-4-9(15)8(10(16)5-7)6-20-13(19)11-2-1-3-12(18)17-11/h1-5H,6H2,(H,17,18)
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n/an/a 3.30E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227553
PNG
(6-oxo-1,6-dihydro-pyridine-2-carboxylic acid biphe...)
Show SMILES O=C(OCc1cccc(c1)-c1ccccc1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C19H15NO3/c21-18-11-5-10-17(20-18)19(22)23-13-14-6-4-9-16(12-14)15-7-2-1-3-8-15/h1-12H,13H2,(H,20,21)
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n/an/a 3.30E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227604
PNG
(2,6-difluorobenzyl 6-oxo-1,6-dihydropyridine-2-car...)
Show SMILES Fc1cccc(F)c1COC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C13H9F2NO3/c14-9-3-1-4-10(15)8(9)7-19-13(18)11-5-2-6-12(17)16-11/h1-6H,7H2,(H,16,17)
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n/an/a 3.50E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227565
PNG
(3-methylbut-2-enyl 6-oxo-1,6-dihydropyridine-2-car...)
Show SMILES CC(C)=CCOC(=O)c1cccc(=O)[nH]1 |(26.33,1.58,;26.33,3.12,;27.66,3.89,;25,3.89,;23.66,3.12,;22.33,3.89,;20.99,3.12,;20.99,1.58,;19.66,3.9,;19.66,5.44,;18.33,6.21,;17,5.44,;17,3.9,;15.67,3.12,;18.33,3.13,)|
Show InChI InChI=1S/C11H13NO3/c1-8(2)6-7-15-11(14)9-4-3-5-10(13)12-9/h3-6H,7H2,1-2H3,(H,12,13)
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n/an/a 3.70E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227580
PNG
(2,4,6-trifluorobenzyl 6-oxo-1,6-dihydropyridine-2-...)
Show SMILES Fc1cc(F)c(COC(=O)c2cccc(=O)[nH]2)c(F)c1
Show InChI InChI=1S/C13H8F3NO3/c14-7-4-9(15)8(10(16)5-7)6-20-13(19)11-2-1-3-12(18)17-11/h1-5H,6H2,(H,17,18)
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n/an/a 3.90E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227596
PNG
(CHEMBL398838 | thiophen-3-yl 6-oxo-1,6-dihydropyri...)
Show SMILES O=C(Oc1ccsc1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C10H7NO3S/c12-9-3-1-2-8(11-9)10(13)14-7-4-5-15-6-7/h1-6H,(H,11,12)
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n/an/a 3.90E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227534
PNG
(3,5-difluorobenzyl 6-oxo-1,6-dihydropyridine-2-car...)
Show SMILES Fc1cc(F)cc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H9F2NO3/c14-9-4-8(5-10(15)6-9)7-19-13(18)11-2-1-3-12(17)16-11/h1-6H,7H2,(H,16,17)
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n/an/a 4.10E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227553
PNG
(6-oxo-1,6-dihydro-pyridine-2-carboxylic acid biphe...)
Show SMILES O=C(OCc1cccc(c1)-c1ccccc1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C19H15NO3/c21-18-11-5-10-17(20-18)19(22)23-13-14-6-4-9-16(12-14)15-7-2-1-3-8-15/h1-12H,13H2,(H,20,21)
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n/an/a 4.20E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227601
PNG
(6-mercapto-pyridine-2-carboxylic acid biphenyl-3-y...)
Show SMILES O=C(OCc1cccc(c1)-c1ccccc1)c1cccc(=S)[nH]1
Show InChI InChI=1S/C19H15NO2S/c21-19(17-10-5-11-18(23)20-17)22-13-14-6-4-9-16(12-14)15-7-2-1-3-8-15/h1-12H,13H2,(H,20,23)
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n/an/a 4.20E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50227569
PNG
(2-bromobenzyl 6-oxo-1,6-dihydropyridine-2-carboxyl...)
Show SMILES Brc1ccccc1COC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C13H10BrNO3/c14-10-5-2-1-4-9(10)8-18-13(17)11-6-3-7-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 4.40E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50227589
PNG
(3-chlorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Clc1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H10ClNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 4.60E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227529
PNG
(CHEMBL254821 | furan-2-yl 6-oxo-1,6-dihydropyridin...)
Show SMILES O=C(Oc1ccco1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C10H7NO4/c12-8-4-1-3-7(11-8)10(13)15-9-5-2-6-14-9/h1-6H,(H,11,12)
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n/an/a 4.60E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227575
PNG
(3-phenoxybenzyl 6-mercaptopicolinate | CHEMBL25006...)
Show SMILES O=C(OCc1cccc(Oc2ccccc2)c1)c1cccc(=S)[nH]1
Show InChI InChI=1S/C19H15NO3S/c21-19(17-10-5-11-18(24)20-17)22-13-14-6-4-9-16(12-14)23-15-7-2-1-3-8-15/h1-12H,13H2,(H,20,24)
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n/an/a 4.60E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227541
PNG
(CHEMBL255051 | phenethyl 6-oxo-1,6-dihydropyridine...)
Show SMILES O=C(OCCc1ccccc1)c1cccc(=O)[nH]1
Show InChI InChI=1S/C14H13NO3/c16-13-8-4-7-12(15-13)14(17)18-10-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,15,16)
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n/an/a 4.70E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50227571
PNG
(4-chlorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Clc1ccc(COC(=O)c2cccc(=O)[nH]2)cc1
Show InChI InChI=1S/C13H10ClNO3/c14-10-6-4-9(5-7-10)8-18-13(17)11-2-1-3-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 4.70E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50227558
PNG
(3-((2H-tetrazol-5-yl)methyl)pyridine | CHEMBL39999...)
Show SMILES C(c1nnn[nH]1)c1cccnc1
Show InChI InChI=1S/C7H7N5/c1-2-6(5-8-3-1)4-7-9-11-12-10-7/h1-3,5H,4H2,(H,9,10,11,12)
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n/an/a 4.80E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227600
PNG
(CHEMBL254837 | but-2-ynyl 6-oxo-1,6-dihydropyridin...)
Show SMILES CC#CCOC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C10H9NO3/c1-2-3-7-14-10(13)8-5-4-6-9(12)11-8/h4-6H,7H2,1H3,(H,11,12)
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n/an/a 5.00E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50227601
PNG
(6-mercapto-pyridine-2-carboxylic acid biphenyl-3-y...)
Show SMILES O=C(OCc1cccc(c1)-c1ccccc1)c1cccc(=S)[nH]1
Show InChI InChI=1S/C19H15NO2S/c21-19(17-10-5-11-18(23)20-17)22-13-14-6-4-9-16(12-14)15-7-2-1-3-8-15/h1-12H,13H2,(H,20,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50227593
PNG
(CHEMBL252326 | pentyl 6-oxo-1,6-dihydropyridine-2-...)
Show SMILES CCCCCOC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C11H15NO3/c1-2-3-4-8-15-11(14)9-6-5-7-10(13)12-9/h5-7H,2-4,8H2,1H3,(H,12,13)
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n/an/a 5.00E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP1


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50227585
PNG
(3-fluorobenzyl 6-oxo-1,6-dihydropyridine-2-carboxy...)
Show SMILES Fc1cccc(COC(=O)c2cccc(=O)[nH]2)c1
Show InChI InChI=1S/C13H10FNO3/c14-10-4-1-3-9(7-10)8-18-13(17)11-5-2-6-12(16)15-11/h1-7H,8H2,(H,15,16)
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n/an/a 5.00E+4n/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem Lett 17: 6864-70 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.020
BindingDB Entry DOI: 10.7270/Q2C24X80
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 316 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%