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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50072205   
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50072205
PNG
(4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-cyclopropy...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCC3CC3)cc2n1
Show InChI InChI=1S/C29H34N2O4/c1-3-28-30-25-14-27(35-17-20-8-9-20)26(32-2)13-24(25)29(31-28)21-10-22(33-15-18-4-5-18)12-23(11-21)34-16-19-6-7-19/h10-14,18-20H,3-9,15-17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 540n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4D.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT)
BDBM50072205
PNG
(4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-cyclopropy...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCC3CC3)cc2n1
Show InChI InChI=1S/C29H34N2O4/c1-3-28-30-25-14-27(35-17-20-8-9-20)26(32-2)13-24(25)29(31-28)21-10-22(33-15-18-4-5-18)12-23(11-21)34-16-19-6-7-19/h10-14,18-20H,3-9,15-17H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 600n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4B.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50072205
PNG
(4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-cyclopropy...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCC3CC3)cc2n1
Show InChI InChI=1S/C29H34N2O4/c1-3-28-30-25-14-27(35-17-20-8-9-20)26(32-2)13-24(25)29(31-28)21-10-22(33-15-18-4-5-18)12-23(11-21)34-16-19-6-7-19/h10-14,18-20H,3-9,15-17H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4A.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair