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PubMed code 16242329

Compile data set for download or QSAR
Found 12 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
Collagenase


(homo sapiens (human))
BDBM50175780
PNG
(CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...)
Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)
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Article
PubMed
n/an/a 5.80E+4n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP2


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50100898
PNG
(CHEMBL41928 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...)
Show SMILES ONC(=O)NCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-18-16(20)19-21/h1-8,21H,9-10H2,(H2,18,19,20)
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PubMed
n/an/a 8.00E+4n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP3


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50100898
PNG
(CHEMBL41928 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...)
Show SMILES ONC(=O)NCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-18-16(20)19-21/h1-8,21H,9-10H2,(H2,18,19,20)
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n/an/a>1.20E+5n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP2


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50100898
PNG
(CHEMBL41928 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)o...)
Show SMILES ONC(=O)NCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H15N3O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)22-10-9-18-16(20)19-21/h1-8,21H,9-10H2,(H2,18,19,20)
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n/an/a>1.20E+5n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP8


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Stromelysin-1


(Homo sapiens (human))
BDBM50175780
PNG
(CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...)
Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)
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PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP3


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50175781
PNG
(1-(4-phenoxyphenethyl)-3-hydroxyurea | CHEMBL19792...)
Show SMILES ONC(=O)NCCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O3/c18-15(17-19)16-11-10-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,19H,10-11H2,(H2,16,17,18)
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n/an/a>3.80E+5n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP2


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50175781
PNG
(1-(4-phenoxyphenethyl)-3-hydroxyurea | CHEMBL19792...)
Show SMILES ONC(=O)NCCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O3/c18-15(17-19)16-11-10-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,19H,10-11H2,(H2,16,17,18)
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n/an/a>3.80E+5n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP3


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50175782
PNG
(1-(4-phenoxyphenethyl)-3-hydroxy-1-methylurea | CH...)
Show SMILES CN(CCc1ccc(Oc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H18N2O3/c1-18(16(19)17-20)12-11-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,17,19)
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n/an/a 3.80E+5n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP3


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50175781
PNG
(1-(4-phenoxyphenethyl)-3-hydroxyurea | CHEMBL19792...)
Show SMILES ONC(=O)NCCc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C15H16N2O3/c18-15(17-19)16-11-10-12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9,19H,10-11H2,(H2,16,17,18)
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n/an/a>3.80E+5n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP8


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50175782
PNG
(1-(4-phenoxyphenethyl)-3-hydroxy-1-methylurea | CH...)
Show SMILES CN(CCc1ccc(Oc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H18N2O3/c1-18(16(19)17-20)12-11-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,17,19)
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PubMed
n/an/a 6.85E+5n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP2


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50175782
PNG
(1-(4-phenoxyphenethyl)-3-hydroxy-1-methylurea | CH...)
Show SMILES CN(CCc1ccc(Oc2ccccc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H18N2O3/c1-18(16(19)17-20)12-11-13-7-9-15(10-8-13)21-14-5-3-2-4-6-14/h2-10,20H,11-12H2,1H3,(H,17,19)
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n/an/a 1.00E+6n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP8


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50175780
PNG
(CHEMBL200435 | N-{2-[(4'-cyano-1,1'-biphenyl-4-yl)...)
Show SMILES CN(CCOc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)NO
Show InChI InChI=1S/C17H17N3O3/c1-20(17(21)19-22)10-11-23-16-8-6-15(7-9-16)14-4-2-13(12-18)3-5-14/h2-9,22H,10-11H2,1H3,(H,19,21)
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n/an/a 1.20E+6n/an/an/an/an/an/a



Università degli Studi 'G. d'Annunzio'

Curated by ChEMBL


Assay Description
Inhibitory activity against MMP8


Bioorg Med Chem Lett 16: 20-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.057
BindingDB Entry DOI: 10.7270/Q2K9372X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%