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BDBM50072209 3-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydroxy-ethoxy)-6-methoxy-quinazolin-2-ylamino]-propan-1-ol::CHEMBL97785

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

InChI Key: InChIKey=FQHZXMKFQOKAPD-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 = 50072209   
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
Phosphodiesterase 4


(RAT)
BDBM50072209
PNG
(3-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(NCCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C28H35N3O6/c1-34-25-14-23-24(15-26(25)35-10-9-33)30-28(29-7-2-8-32)31-27(23)20-11-21(36-16-18-3-4-18)13-22(12-20)37-17-19-5-6-19/h11-15,18-19,32-33H,2-10,16-17H2,1H3,(H,29,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 340n/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))
BDBM50072209
PNG
(3-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(NCCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C28H35N3O6/c1-34-25-14-23-24(15-26(25)35-10-9-33)30-28(29-7-2-8-32)31-27(23)20-11-21(36-16-18-3-4-18)13-22(12-20)37-17-19-5-6-19/h11-15,18-19,32-33H,2-10,16-17H2,1H3,(H,29,30,31)
PDB

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PC sid
UniChem
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n/an/a 230n/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-Rattus norvegicus)
BDBM50072209
PNG
(3-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(NCCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C28H35N3O6/c1-34-25-14-23-24(15-26(25)35-10-9-33)30-28(29-7-2-8-32)31-27(23)20-11-21(36-16-18-3-4-18)13-22(12-20)37-17-19-5-6-19/h11-15,18-19,32-33H,2-10,16-17H2,1H3,(H,29,30,31)
PDB
MMDB

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Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 200n/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 3


(Homo sapiens (Human))
BDBM50072209
PNG
(3-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(NCCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C28H35N3O6/c1-34-25-14-23-24(15-26(25)35-10-9-33)30-28(29-7-2-8-32)31-27(23)20-11-21(36-16-18-3-4-18)13-22(12-20)37-17-19-5-6-19/h11-15,18-19,32-33H,2-10,16-17H2,1H3,(H,29,30,31)
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50072209
PNG
(3-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-7-(2-hydr...)
Show SMILES COc1cc2c(nc(NCCCO)nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C28H35N3O6/c1-34-25-14-23-24(15-26(25)35-10-9-33)30-28(29-7-2-8-32)31-27(23)20-11-21(36-16-18-3-4-18)13-22(12-20)37-17-19-5-6-19/h11-15,18-19,32-33H,2-10,16-17H2,1H3,(H,29,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 500n/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