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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase' and Ligand = 'BDBM50204595'   
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
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM50204595
PNG
(CHEMBL3889667 | US10285989, Example 94)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)NC1(CC1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H16F4N4O2/c1-25(2)15-22-12(8-13(26)23-15)14(27)24-16(5-6-16)9-3-4-10(11(18)7-9)17(19,20)21/h3-4,7-8H,5-6H2,1-2H3,(H,24,27)(H,22,23,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.800n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of rhesus monkey PDE2A3 expressed in AD293 cells using FAM-labeled cAMP as substrate after 60 mins in presence of cGMP by florescence pola...


ACS Med Chem Lett 8: 17-18 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00514
BindingDB Entry DOI: 10.7270/Q24M96HP
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM50204595
PNG
(CHEMBL3889667 | US10285989, Example 94)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)NC1(CC1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H16F4N4O2/c1-25(2)15-22-12(8-13(26)23-15)14(27)24-16(5-6-16)9-3-4-10(11(18)7-9)17(19,20)21/h3-4,7-8H,5-6H2,1-2H3,(H,24,27)(H,22,23,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


Bioorg Med Chem Lett 17: 4284-9 (2007)


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair
Phosphodiesterase


(Macaca mulatta (Rhesus macaque))
BDBM50204595
PNG
(CHEMBL3889667 | US10285989, Example 94)
Show SMILES CN(C)c1nc(cc(=O)[nH]1)C(=O)NC1(CC1)c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C17H16F4N4O2/c1-25(2)15-22-12(8-13(26)23-15)14(27)24-16(5-6-16)9-3-4-10(11(18)7-9)17(19,20)21/h3-4,7-8H,5-6H2,1-2H3,(H,24,27)(H,22,23,26)
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The activity of the compounds in accordance with the present invention as PDE2 inhibitors may be readily determined using a fluorescence polarization...


Bioorg Med Chem Lett 17: 4284-9 (2007)


BindingDB Entry DOI: 10.7270/Q24Q7X9Z
More data for this
Ligand-Target Pair