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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B' and Ligand = 'BDBM14739'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM14739
PNG
((R)-6,7-Dimethoxy-4-[3-(2-trifluoromethyl-phenoxy)...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C(F)(F)F)c2cc1OC |r|
Show InChI InChI=1S/C21H20F3N3O3/c1-28-18-9-14-16(10-19(18)29-2)25-12-26-20(14)27-8-7-13(11-27)30-17-6-4-3-5-15(17)21(22,23)24/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1
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Article
PubMed
>100n/an/an/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of PDE3B


Bioorg Med Chem 16: 3675-86 (2008)


Article DOI: 10.1016/j.bmc.2008.02.013
BindingDB Entry DOI: 10.7270/Q2V988ZC
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM14739
PNG
((R)-6,7-Dimethoxy-4-[3-(2-trifluoromethyl-phenoxy)...)
Show SMILES COc1cc2ncnc(N3CC[C@H](C3)Oc3ccccc3C(F)(F)F)c2cc1OC |r|
Show InChI InChI=1S/C21H20F3N3O3/c1-28-18-9-14-16(10-19(18)29-2)25-12-26-20(14)27-8-7-13(11-27)30-17-6-4-3-5-15(17)21(22,23)24/h3-6,9-10,12-13H,7-8,11H2,1-2H3/t13-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
>100n/an/an/an/an/an/an/an/a



Pfizer



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using a scintillation proximity assay (SPA). [3H]-AMP was captured by...


J Med Chem 50: 182-5 (2007)


Article DOI: 10.1021/jm060653b
BindingDB Entry DOI: 10.7270/Q2930RDX
More data for this
Ligand-Target Pair