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BDBM50310217 7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)-2-(1-oxypyridin-3-yl)-pyrazolo[1,5-a]pyrimidine::CHEMBL599326

SMILES: [O-][n+]1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1

InChI Key: InChIKey=WEZKAVBVBABLRE-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 50310217   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50310217
PNG
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)
Show SMILES [O-][n+]1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C22H18F2N4O3/c23-22(24)31-19-6-5-15(10-20(19)30-13-14-3-4-14)18-7-8-25-21-11-17(26-28(18)21)16-2-1-9-27(29)12-16/h1-2,5-12,14,22H,3-4,13H2
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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310217
PNG
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)
Show SMILES [O-][n+]1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C22H18F2N4O3/c23-22(24)31-19-6-5-15(10-20(19)30-13-14-3-4-14)18-7-8-25-21-11-17(26-28(18)21)16-2-1-9-27(29)12-16/h1-2,5-12,14,22H,3-4,13H2
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Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310217
PNG
(7-(3'-Cyclopropylmethoxy-4'-difluoromethoxyphenyl)...)
Show SMILES [O-][n+]1cccc(c1)-c1cc2nccc(-c3ccc(OC(F)F)c(OCC4CC4)c3)n2n1
Show InChI InChI=1S/C22H18F2N4O3/c23-22(24)31-19-6-5-15(10-20(19)30-13-14-3-4-14)18-7-8-25-21-11-17(26-28(18)21)16-2-1-9-27(29)12-16/h1-2,5-12,14,22H,3-4,13H2
PDB

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UniProtKB/TrEMBL

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Article
PubMed
n/an/an/an/a 1.61E+3n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D in U937 cells assessed as cAMP accumulation


Bioorg Med Chem Lett 20: 922-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.070
BindingDB Entry DOI: 10.7270/Q2SF2W9S
More data for this
Ligand-Target Pair