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BDBM50096645 3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionamide::3-(4'-cyanobiphenyl-4-yloxy)-N-hydroxypropanamide::3-[(4'-cyanobiphenyl-4-yl)oxy]-N-hydroxypropanamide::CHEMBL38851

SMILES: ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N

InChI Key: InChIKey=XZWFHJUEAVOHHG-UHFFFAOYSA-N

Data: 9 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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 11 hits for monomerid = 50096645   
Target
(Institution)
LigandTarget
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
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-1.


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a>10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 49n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Citation and Details
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-13 (MMP-13)


(Homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 64n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-2


Citation and Details
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 655n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Citation and Details
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 47n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 25n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-3 (MMP-3)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/an/a 100n/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Binding affinity to stromelysin-1 catalytic domain


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/an/a 110n/an/an/an/an/a



Duke University

Curated by ChEMBL


Assay Description
Binding affinity to stromelysin-1 catalytic domain expressed in Escherichia coli BL21 (DE3) by isothermal titration colorimetry


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 57n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of Matrix metalloproteinase-3


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)