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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 216.2
BDBM29022
Wt: 203.2
BDBM50152639
Wt: 199.2
BDBM50215927
Wt: 191.1
BDBM50227600
Wt: 181.1
BDBM50227603
Wt: 161.1
BDBM50227558
Purchase
Wt: 207.2
BDBM50227565
Wt: 193.1
BDBM50227567
Wt: 205.1
BDBM50227529
Wt: 209.2
BDBM50227539
Wt: 197.2
BDBM50227591
Wt: 209.2
BDBM50227593
Wt: 176.1
BDBM50240863
Purchase
Wt: 148.1
BDBM50270673
Purchase
Wt: 163.1
BDBM50270676
Purchase
Displayed 1 to 15 (of 679 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 47 hits in this display   
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
Collagenase


(homo sapiens (human))
BDBM50152639
PNG
(((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccccc1
Show InChI InChI=1S/C12H13NO2/c1-2-11-10(8-14)13-12(15-11)9-6-4-3-5-7-9/h2-7,10-11,14H,1,8H2/t10-,11-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-2


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50152639
PNG
(((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccccc1
Show InChI InChI=1S/C12H13NO2/c1-2-11-10(8-14)13-12(15-11)9-6-4-3-5-7-9/h2-7,10-11,14H,1,8H2/t10-,11-/m0/s1
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>2.00E+6n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-12


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50152639
PNG
(((4S,5S)-2-Phenyl-5-vinyl-4,5-dihydro-oxazol-4-yl)...)
Show SMILES OC[C@@H]1N=C(O[C@H]1C=C)c1ccccc1
Show InChI InChI=1S/C12H13NO2/c1-2-11-10(8-14)13-12(15-11)9-6-4-3-5-7-9/h2-7,10-11,14H,1,8H2/t10-,11-/m0/s1
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>4.00E+6n/an/an/an/an/an/an/an/a



North Dakota State University

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-9


Bioorg Med Chem Lett 14: 4935-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.023
BindingDB Entry DOI: 10.7270/Q2PV6JT3
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50215927
PNG
(4-(1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amin...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccc[nH]1
Show InChI InChI=1S/C10H9N5/c11-10-14-7-3-5-13-8(9(7)15-10)6-2-1-4-12-6/h1-5,12H,(H3,11,14,15)
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n/an/a 1.60n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


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
Collagenase


(homo sapiens (human))
BDBM50215927
PNG
(4-(1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amin...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccc[nH]1
Show InChI InChI=1S/C10H9N5/c11-10-14-7-3-5-13-8(9(7)15-10)6-2-1-4-12-6/h1-5,12H,(H3,11,14,15)
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n/an/a 10n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by...


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))
BDBM50240863
PNG
(5-Phenyl-imidazolidine-2,4-dione | 5-phenylimidazo...)
Show SMILES Oc1[nH]c(=O)[nH]c1-c1ccccc1
Show InChI InChI=1S/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,12H,(H2,10,11,13)
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n/an/a 290n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of MMP12 (unknown origin)


J Med Chem 51: 3449-59 (2008)


Article DOI: 10.1021/jm8000289
BindingDB Entry DOI: 10.7270/Q2H99519
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(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
Matrix metalloproteinase-1 (MMP1)


(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
Matrix metalloproteinase-1 (MMP1)


(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
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
Matrix metalloproteinase-1 (MMP1)


(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
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
Matrix metalloproteinase-1 (MMP1)


(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-1 (MMP1)


(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-12 (MMP12)


(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 5.10E+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
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 6.20E+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
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 6.60E+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
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 6.60E+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
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 6.70E+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
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 6.70E+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
Matrix metalloproteinase-12 (MMP12)


(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 6.70E+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
Matrix metalloproteinase-12 (MMP12)


(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
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 6.70E+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
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 6.80E+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
Matrix metalloproteinase-12 (MMP12)


(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 6.80E+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
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
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 6.90E+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
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 7.00E+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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50215927
PNG
(4-(1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amin...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccc[nH]1
Show InChI InChI=1S/C10H9N5/c11-10-14-7-3-5-13-8(9(7)15-10)6-2-1-4-12-6/h1-5,12H,(H3,11,14,15)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting


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))
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 7.10E+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
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
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 7.20E+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
Matrix metalloproteinase-12 (MMP12)


(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 7.60E+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
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 9.00E+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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50215927
PNG
(4-(1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amin...)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccc[nH]1
Show InChI InChI=1S/C10H9N5/c11-10-14-7-3-5-13-8(9(7)15-10)6-2-1-4-12-6/h1-5,12H,(H3,11,14,15)
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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 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
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 1.03E+5n/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
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 1.11E+5n/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-1 (MMP1)


(homo sapiens (human))
BDBM50227591
PNG
(CHEMBL404205 | isopropyl 6-mercaptopicolinate)
Show SMILES CC(C)OC(=O)c1cccc(=S)[nH]1
Show InChI InChI=1S/C9H11NO2S/c1-6(2)12-9(11)7-4-3-5-8(13)10-7/h3-6H,1-2H3,(H,10,13)
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n/an/a 1.21E+5n/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
Collagenase


(Homo sapiens (Human))
BDBM50227591
PNG
(CHEMBL404205 | isopropyl 6-mercaptopicolinate)
Show SMILES CC(C)OC(=O)c1cccc(=S)[nH]1
Show InChI InChI=1S/C9H11NO2S/c1-6(2)12-9(11)7-4-3-5-8(13)10-7/h3-6H,1-2H3,(H,10,13)
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n/an/a 1.32E+5n/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-1 (MMP1)


(homo sapiens (human))
BDBM50227539
PNG
(CHEMBL252327 | cyclobutyl 6-mercaptopicolinate)
Show SMILES O=C(OC1CCC1)c1cccc(=S)[nH]1
Show InChI InChI=1S/C10H11NO2S/c12-10(13-7-3-1-4-7)8-5-2-6-9(14)11-8/h2,5-7H,1,3-4H2,(H,11,14)
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n/an/a 1.35E+5n/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
Collagenase


(Homo sapiens (Human))
BDBM50227539
PNG
(CHEMBL252327 | cyclobutyl 6-mercaptopicolinate)
Show SMILES O=C(OC1CCC1)c1cccc(=S)[nH]1
Show InChI InChI=1S/C10H11NO2S/c12-10(13-7-3-1-4-7)8-5-2-6-9(14)11-8/h2,5-7H,1,3-4H2,(H,11,14)
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n/an/a 1.37E+5n/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-12 (MMP12)


(Homo sapiens (Human))
BDBM50227591
PNG
(CHEMBL404205 | isopropyl 6-mercaptopicolinate)
Show SMILES CC(C)OC(=O)c1cccc(=S)[nH]1
Show InChI InChI=1S/C9H11NO2S/c1-6(2)12-9(11)7-4-3-5-8(13)10-7/h3-6H,1-2H3,(H,10,13)
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n/an/a 1.46E+5n/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
Collagenase


(homo sapiens (human))
BDBM50227539
PNG
(CHEMBL252327 | cyclobutyl 6-mercaptopicolinate)
Show SMILES O=C(OC1CCC1)c1cccc(=S)[nH]1
Show InChI InChI=1S/C10H11NO2S/c12-10(13-7-3-1-4-7)8-5-2-6-9(14)11-8/h2,5-7H,1,3-4H2,(H,11,14)
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n/an/a>1.50E+5n/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-12 (MMP12)


(Homo sapiens (Human))
BDBM50227539
PNG
(CHEMBL252327 | cyclobutyl 6-mercaptopicolinate)
Show SMILES O=C(OC1CCC1)c1cccc(=S)[nH]1
Show InChI InChI=1S/C10H11NO2S/c12-10(13-7-3-1-4-7)8-5-2-6-9(14)11-8/h2,5-7H,1,3-4H2,(H,11,14)
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n/an/a>1.50E+5n/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
Matrix metalloproteinase-1 (MMP1)


(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>1.50E+5n/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
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>1.50E+5n/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
Collagenase


(homo sapiens (human))
BDBM50227591
PNG
(CHEMBL404205 | isopropyl 6-mercaptopicolinate)
Show SMILES CC(C)OC(=O)c1cccc(=S)[nH]1
Show InChI InChI=1S/C9H11NO2S/c1-6(2)12-9(11)7-4-3-5-8(13)10-7/h3-6H,1-2H3,(H,10,13)
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n/an/a>1.50E+5n/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-12 (MMP12)


(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>1.50E+5n/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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50270676
PNG
(6-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one | CHEMBL...)
Show SMILES Cc1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C9H9NO2/c1-6-2-3-8-7(4-6)10-9(11)5-12-8/h2-4H,5H2,1H3,(H,10,11)
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PubMed
n/an/a 3.55E+5n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of MMP12 (unknown origin)


J Med Chem 51: 3449-59 (2008)


Article DOI: 10.1021/jm8000289
BindingDB Entry DOI: 10.7270/Q2H99519
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50270673
PNG
(5-METHOXYBENZIMIDAZOLE | 5-methoxy-1H-benzo[d]imid...)
Show SMILES COc1ccc2nc[nH]c2c1
Show InChI InChI=1S/C8H8N2O/c1-11-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3,(H,9,10)
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n/an/a 2.00E+6n/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of MMP12 (unknown origin)


J Med Chem 51: 3449-59 (2008)


Article DOI: 10.1021/jm8000289
BindingDB Entry DOI: 10.7270/Q2H99519
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM29022
PNG
(ethyl 1-(hydroxycarbamoyl)piperidine-4-carboxylate...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)NO
Show InChI InChI=1S/C9H16N2O4/c1-2-15-8(12)7-3-5-11(6-4-7)9(13)10-14/h7,14H,2-6H2,1H3,(H,10,13)
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n/an/an/a 3.40E+6n/an/an/a7.225



University of Florence



Assay Description
The NMR experiments were performed to determine the binding affinity (KD) for the MMP-12 catalytic domain. The alteration of the chemical shifts indu...


Bioorg Med Chem 14: 7392-403 (2006)


Article DOI: 10.1016/j.bmc.2006.07.028
BindingDB Entry DOI: 10.7270/Q2TD9VPX
More data for this
Ligand-Target Pair