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SMILES: CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(O)cc2n1

InChI Key: InChIKey=BIMKWTXBXDRUEQ-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 3 hits for monomerid = 50072210   
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))
BDBM50072210
PNG
(4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethyl-6-me...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(O)cc2n1
Show InChI InChI=1S/C25H28N2O4/c1-3-24-26-21-12-22(28)23(29-2)11-20(21)25(27-24)17-8-18(30-13-15-4-5-15)10-19(9-17)31-14-16-6-7-16/h8-12,15-16,28H,3-7,13-14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.30E+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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(RAT)
BDBM50072210
PNG
(4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethyl-6-me...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(O)cc2n1
Show InChI InChI=1S/C25H28N2O4/c1-3-24-26-21-12-22(28)23(29-2)11-20(21)25(27-24)17-8-18(30-13-15-4-5-15)10-19(9-17)31-14-16-6-7-16/h8-12,15-16,28H,3-7,13-14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.40E+3n/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 4D


(Homo sapiens (Human))
BDBM50072210
PNG
(4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethyl-6-me...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(O)cc2n1
Show InChI InChI=1S/C25H28N2O4/c1-3-24-26-21-12-22(28)23(29-2)11-20(21)25(27-24)17-8-18(30-13-15-4-5-15)10-19(9-17)31-14-16-6-7-16/h8-12,15-16,28H,3-7,13-14H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 650n/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