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BDBM50010981 (Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazolidin-2-one::4-(3-Butoxy-4-methoxy-benzyl)-imidazolidin-2-one::4-(3-Butoxy-4-methoxy-benzyl)-imidazolidin-2-one(Ro 20-1724)::4-(3-Butyl-4-methoxy-benzyl)-imidazolidin-2-one::CHEMBL18701::RO 20-1724::Ro-20-1724

InChI string: InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)

SMILES: CCCCOc1cc(CC2CNC(=O)N2)ccc1OC

InChI Key: InChIKey=PDMUULPVBYQBBK-UHFFFAOYSA-N

Data: 3 KI  5 IC50  1 EC50

PDB links: 2 PDB IDs match 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 9 hits for monomerid = 50010981   
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
Phosphodiesterase 4


(RAT)
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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189n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 565-72 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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1.93E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)

More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT)
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 565-72 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tumor necrosis factor (TNF-alpha)


(Homo sapiens (Human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
TNF-alpha production in PBMC by ELISA method


J Med Chem 39: 2-9 (1996)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/a 3.90E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of human lung


J Med Chem 28: 537-45 (1985)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/an/an/a 3.30E+3n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 2A


(Rattus norvegicus)
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/a 1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat brain particulate cGMP phosphodiesterase


J Med Chem 25: 1192-8 (1983)

More data for this
Ligand-Target Pair
Phosphodiesterase 5A


(Bos taurus)
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/a 3.80E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase was determined in vitro using bovine aorta, at 1 uM cGMP for cGMP-PDE.


J Med Chem 32: 1450-7 (1989)

More data for this
Ligand-Target Pair