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BDBM50072199 2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2,6-dimethoxy-quinazolin-7-yloxy]-ethanol::CHEMBL420454

SMILES: COc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1

InChI Key: InChIKey=BQFSXRKNQWALDP-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 = 50072199   
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 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50072199
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2,6-dimet...)
Show SMILES COc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C26H30N2O6/c1-30-23-12-21-22(13-24(23)32-8-7-29)27-26(31-2)28-25(21)18-9-19(33-14-16-3-4-16)11-20(10-18)34-15-17-5-6-17/h9-13,16-17,29H,3-8,14-15H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 140n/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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50072199
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2,6-dimet...)
Show SMILES COc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C26H30N2O6/c1-30-23-12-21-22(13-24(23)32-8-7-29)27-26(31-2)28-25(21)18-9-19(33-14-16-3-4-16)11-20(10-18)34-15-17-5-6-17/h9-13,16-17,29H,3-8,14-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 130n/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)
BDBM50072199
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2,6-dimet...)
Show SMILES COc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C26H30N2O6/c1-30-23-12-21-22(13-24(23)32-8-7-29)27-26(31-2)28-25(21)18-9-19(33-14-16-3-4-16)11-20(10-18)34-15-17-5-6-17/h9-13,16-17,29H,3-8,14-15H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 210n/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))
BDBM50072199
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2,6-dimet...)
Show SMILES COc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C26H30N2O6/c1-30-23-12-21-22(13-24(23)32-8-7-29)27-26(31-2)28-25(21)18-9-19(33-14-16-3-4-16)11-20(10-18)34-15-17-5-6-17/h9-13,16-17,29H,3-8,14-15H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 390n/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)
BDBM50072199
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2,6-dimet...)
Show SMILES COc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C26H30N2O6/c1-30-23-12-21-22(13-24(23)32-8-7-29)27-26(31-2)28-25(21)18-9-19(33-14-16-3-4-16)11-20(10-18)34-15-17-5-6-17/h9-13,16-17,29H,3-8,14-15H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 110n/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