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BDBM50072194 2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-butyl-6-methoxy-quinazolin-7-yloxy]-ethanol::CHEMBL418785

SMILES: CCCCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1

InChI Key: InChIKey=BONRFJGOADUQPC-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50072194   
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 4B


(RAT)
BDBM50072194
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-butyl-6...)
Show SMILES CCCCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C29H36N2O5/c1-3-4-5-28-30-25-16-27(34-11-10-32)26(33-2)15-24(25)29(31-28)21-12-22(35-17-19-6-7-19)14-23(13-21)36-18-20-8-9-20/h12-16,19-20,32H,3-11,17-18H2,1-2H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 300n/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))
BDBM50072194
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-butyl-6...)
Show SMILES CCCCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C29H36N2O5/c1-3-4-5-28-30-25-16-27(34-11-10-32)26(33-2)15-24(25)29(31-28)21-12-22(35-17-19-6-7-19)14-23(13-21)36-18-20-8-9-20/h12-16,19-20,32H,3-11,17-18H2,1-2H3
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n/an/a 1.30E+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
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50072194
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-butyl-6...)
Show SMILES CCCCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C29H36N2O5/c1-3-4-5-28-30-25-16-27(34-11-10-32)26(33-2)15-24(25)29(31-28)21-12-22(35-17-19-6-7-19)14-23(13-21)36-18-20-8-9-20/h12-16,19-20,32H,3-11,17-18H2,1-2H3
PDB
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NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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PubMed
n/an/a 50n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of [3H]-rolipram binding to membrane-bound PDE4


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))
BDBM50072194
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-butyl-6...)
Show SMILES CCCCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C29H36N2O5/c1-3-4-5-28-30-25-16-27(34-11-10-32)26(33-2)15-24(25)29(31-28)21-12-22(35-17-19-6-7-19)14-23(13-21)36-18-20-8-9-20/h12-16,19-20,32H,3-11,17-18H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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DrugBank
antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 720n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE3.


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 4D


(Homo sapiens (Human))
BDBM50072194
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-butyl-6...)
Show SMILES CCCCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C29H36N2O5/c1-3-4-5-28-30-25-16-27(34-11-10-32)26(33-2)15-24(25)29(31-28)21-12-22(35-17-19-6-7-19)14-23(13-21)36-18-20-8-9-20/h12-16,19-20,32H,3-11,17-18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 300n/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