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

InChI Key: InChIKey=JSKVJOHFPHMSJD-UHFFFAOYSA-N

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 = 50072196   
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))
BDBM50072196
PNG
(2-[2,4-Bis-(3,5-bis-cyclopropylmethoxy-phenyl)-6-m...)
Show SMILES COc1cc2c(nc(nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C39H44N2O7/c1-43-36-18-34-35(19-37(36)44-11-10-42)40-39(29-14-32(47-22-26-6-7-26)17-33(15-29)48-23-27-8-9-27)41-38(34)28-12-30(45-20-24-2-3-24)16-31(13-28)46-21-25-4-5-25/h12-19,24-27,42H,2-11,20-23H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.40E+4n/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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B


(Homo sapiens (Human))
BDBM50072196
PNG
(2-[2,4-Bis-(3,5-bis-cyclopropylmethoxy-phenyl)-6-m...)
Show SMILES COc1cc2c(nc(nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C39H44N2O7/c1-43-36-18-34-35(19-37(36)44-11-10-42)40-39(29-14-32(47-22-26-6-7-26)17-33(15-29)48-23-27-8-9-27)41-38(34)28-12-30(45-20-24-2-3-24)16-31(13-28)46-21-25-4-5-25/h12-19,24-27,42H,2-11,20-23H2,1H3
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 7.80E+3n/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))
BDBM50072196
PNG
(2-[2,4-Bis-(3,5-bis-cyclopropylmethoxy-phenyl)-6-m...)
Show SMILES COc1cc2c(nc(nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C39H44N2O7/c1-43-36-18-34-35(19-37(36)44-11-10-42)40-39(29-14-32(47-22-26-6-7-26)17-33(15-29)48-23-27-8-9-27)41-38(34)28-12-30(45-20-24-2-3-24)16-31(13-28)46-21-25-4-5-25/h12-19,24-27,42H,2-11,20-23H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 8.50E+3n/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 4B


(RAT)
BDBM50072196
PNG
(2-[2,4-Bis-(3,5-bis-cyclopropylmethoxy-phenyl)-6-m...)
Show SMILES COc1cc2c(nc(nc2cc1OCCO)-c1cc(OCC2CC2)cc(OCC2CC2)c1)-c1cc(OCC2CC2)cc(OCC2CC2)c1
Show InChI InChI=1S/C39H44N2O7/c1-43-36-18-34-35(19-37(36)44-11-10-42)40-39(29-14-32(47-22-26-6-7-26)17-33(15-29)48-23-27-8-9-27)41-38(34)28-12-30(45-20-24-2-3-24)16-31(13-28)46-21-25-4-5-25/h12-19,24-27,42H,2-11,20-23H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.20E+4n/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