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BDBM50072211 2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydroxy-ethoxy)-6-methoxy-quinazolin-2-yloxy]-ethanol::CHEMBL98662

SMILES: COc1cc2c(nc(OCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1

InChI Key: InChIKey=HKZHBMYWZFUQLG-UHFFFAOYSA-N

Data: 4 IC50

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 4 hits for monomerid = 50072211   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50072211
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(OCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C27H32N2O7/c1-32-24-13-22-23(14-25(24)33-8-6-30)28-27(34-9-7-31)29-26(22)19-10-20(35-15-17-2-3-17)12-21(11-19)36-16-18-4-5-18/h10-14,17-18,30-31H,2-9,15-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 70n/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
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50072211
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(OCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C27H32N2O7/c1-32-24-13-22-23(14-25(24)33-8-6-30)28-27(34-9-7-31)29-26(22)19-10-20(35-15-17-2-3-17)12-21(11-19)36-16-18-4-5-18/h10-14,17-18,30-31H,2-9,15-16H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 430n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL




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


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


(RAT)
BDBM50072211
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(OCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C27H32N2O7/c1-32-24-13-22-23(14-25(24)33-8-6-30)28-27(34-9-7-31)29-26(22)19-10-20(35-15-17-2-3-17)12-21(11-19)36-16-18-4-5-18/h10-14,17-18,30-31H,2-9,15-16H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 80n/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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50072211
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(OCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C27H32N2O7/c1-32-24-13-22-23(14-25(24)33-8-6-30)28-27(34-9-7-31)29-26(22)19-10-20(35-15-17-2-3-17)12-21(11-19)36-16-18-4-5-18/h10-14,17-18,30-31H,2-9,15-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 90n/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