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Compile Data Set for Download or QSAR

Found 9 hits of kd data for polymerid = 6145   
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))
BDBM29018
PNG
((1S,5S,7R)-3-N-hydroxy-7-N-[(4-phenylphenyl)methyl...)
Show SMILES ONC(=O)N1C[C@H]2O[C@@H](C1)[C@@H](O2)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H21N3O5/c24-19(18-16-11-23(20(25)22-26)12-17(27-16)28-18)21-10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,26H,10-12H2,(H,21,24)(H,22,25)/t16-,17-,18+/m0/s1
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Article
PubMed
n/an/a 1.49E+5 1.54E+5n/an/an/a7.025



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
3D
3D Structure (crystal)
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM29016
PNG
((1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)meth...)
Show SMILES ONC(=O)[C@@H]1O[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C(=O)[C@@H]1O2
Show InChI InChI=1S/C19H18N2O5/c22-18(20-24)16-17-19(23)21(11-15(25-16)26-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-17,24H,10-11H2,(H,20,22)/t15-,16-,17-/m1/s1
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PubMed
n/an/a 4.25E+5>5.00E+5n/an/an/a7.025



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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM29017
PNG
((1S,5S,7R)-N-hydroxy-3-[(4-phenylphenyl)methyl]-6,...)
Show SMILES ONC(=O)[C@@H]1O[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C[C@@H]1O2
Show InChI InChI=1S/C19H20N2O4/c22-19(20-23)18-16-11-21(12-17(24-16)25-18)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18,23H,10-12H2,(H,20,22)/t16-,17-,18+/m0/s1
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PubMed
n/an/a 3.99E+5>5.00E+5n/an/an/a7.025



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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM29015
PNG
((1S,5S,7R)-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-...)
Show SMILES OC(=O)[C@@H]1O[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C[C@@H]1O2
Show InChI InChI=1S/C19H19NO4/c21-19(22)18-16-11-20(12-17(23-16)24-18)10-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16-18H,10-12H2,(H,21,22)/t16-,17-,18+/m0/s1
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PubMed
n/an/a 8.35E+5>1.00E+6n/an/an/a7.025



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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM29014
PNG
((1R,5S,7R)-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-di...)
Show SMILES OC(=O)[C@@H]1O[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C(=O)[C@@H]1O2
Show InChI InChI=1S/C19H17NO5/c21-18-16-17(19(22)23)25-15(24-16)11-20(18)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-17H,10-11H2,(H,22,23)/t15-,16+,17+/m0/s1
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n/an/a 9.54E+5>1.00E+6n/an/an/a7.025



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
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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM29019
PNG
((1R,5S,7R)-3-benzyl-2-oxo-6,8-dioxa-3-azabicyclo[3...)
Show SMILES OC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2
Show InChI InChI=1S/C13H13NO5/c15-12-10-11(13(16)17)19-9(18-10)7-14(12)6-8-4-2-1-3-5-8/h1-5,9-11H,6-7H2,(H,16,17)/t9-,10+,11+/m0/s1
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n/an/an/a>1.00E+7n/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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM29020
PNG
((1S,5S,7R)-3-benzyl-6,8-dioxa-3-azabicyclo[3.2.1]o...)
Show SMILES OC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C[C@@H]1O2
Show InChI InChI=1S/C13H15NO4/c15-13(16)12-10-7-14(8-11(17-10)18-12)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,15,16)/t10-,11-,12+/m0/s1
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PubMed
n/an/an/a>1.00E+7n/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
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM29021
PNG
((1R,5S,7R)-3-benzyl-N-hydroxy-2-oxo-6,8-dioxa-3-az...)
Show SMILES ONC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2
Show InChI InChI=1S/C13H14N2O5/c16-12(14-18)10-11-13(17)15(7-9(19-10)20-11)6-8-4-2-1-3-5-8/h1-5,9-11,18H,6-7H2,(H,14,16)/t9-,10-,11-/m1/s1
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PubMed
n/an/an/a>1.00E+7n/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