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BDBM50160847 1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane-2,6,8,10-tetraone::CHEMBL178509

SMILES: O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O

InChI Key: InChIKey=TVKGACNFKXXAEF-UHFFFAOYSA-N

Data: 8 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50160847   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50160847
PNG
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)
Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26)
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1.60n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Bioorg Med Chem Lett 15: 1101-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.016
BindingDB Entry DOI: 10.7270/Q2F47NN2
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50160847
PNG
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)
Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26)
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4.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Bioorg Med Chem Lett 15: 1101-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.016
BindingDB Entry DOI: 10.7270/Q2F47NN2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50160847
PNG
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)
Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26)
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4.70n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


Bioorg Med Chem Lett 15: 1101-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.016
BindingDB Entry DOI: 10.7270/Q2F47NN2
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50160847
PNG
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)
Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26)
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4.70n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50160847
PNG
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)
Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26)
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4.70n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Inhibition of MMP9


Bioorg Med Chem 15: 2223-68 (2007)


Article DOI: 10.1016/j.bmc.2007.01.011
BindingDB Entry DOI: 10.7270/Q2571DBD
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50160847
PNG
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)
Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26)
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>1.00E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of TNF-alpha converting enzyme (TACE, ADAM17)


Bioorg Med Chem Lett 15: 1101-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.016
BindingDB Entry DOI: 10.7270/Q2F47NN2
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50160847
PNG
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)
Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26)
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4.50E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-3


Bioorg Med Chem Lett 15: 1101-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.016
BindingDB Entry DOI: 10.7270/Q2F47NN2
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50160847
PNG
(1-(4-phenoxy-phenyl)-1,7,9-triaza-spiro[4.5]decane...)
Show SMILES O=C1CCC2(N1c1ccc(Oc3ccccc3)cc1)C(=O)NC(=O)NC2=O
Show InChI InChI=1S/C19H15N3O5/c23-15-10-11-19(16(24)20-18(26)21-17(19)25)22(15)12-6-8-14(9-7-12)27-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,20,21,24,25,26)
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>5.00E+3n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


Bioorg Med Chem Lett 15: 1101-6 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.016
BindingDB Entry DOI: 10.7270/Q2F47NN2
More data for this
Ligand-Target Pair