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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM284766'   
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-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284766
PNG
(US10023575, Example 57 | US10479794, Example 57 | ...)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ncc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H19F4N5O3/c22-15-5-13(21(23,24)25)7-26-17(15)20(3-4-33-10-16(20)31)29-19(32)14-8-28-30-9-12(11-1-2-11)6-27-18(14)30/h5-9,11,16,31H,1-4,10H2,(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 103n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
All reactions were performed in 384 well plates, Perkin Elmer black optiplates and IMAP reaction buffer with 0.1% Tween20 (kit component)Compounds we...


US Patent US10023575 (2018)


BindingDB Entry DOI: 10.7270/Q2KH0QCP
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284766
PNG
(US10023575, Example 57 | US10479794, Example 57 | ...)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ncc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H19F4N5O3/c22-15-5-13(21(23,24)25)7-26-17(15)20(3-4-33-10-16(20)31)29-19(32)14-8-28-30-9-12(11-1-2-11)6-27-18(14)30/h5-9,11,16,31H,1-4,10H2,(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 103n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26H4NHR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284766
PNG
(US10023575, Example 57 | US10479794, Example 57 | ...)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ncc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H19F4N5O3/c22-15-5-13(21(23,24)25)7-26-17(15)20(3-4-33-10-16(20)31)29-19(32)14-8-28-30-9-12(11-1-2-11)6-27-18(14)30/h5-9,11,16,31H,1-4,10H2,(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 103n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US10875867 (2020)


BindingDB Entry DOI: 10.7270/Q2WQ06W2
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM284766
PNG
(US10023575, Example 57 | US10479794, Example 57 | ...)
Show SMILES OC1COCCC1(NC(=O)c1cnn2cc(cnc12)C1CC1)c1ncc(cc1F)C(F)(F)F
Show InChI InChI=1S/C21H19F4N5O3/c22-15-5-13(21(23,24)25)7-26-17(15)20(3-4-33-10-16(20)31)29-19(32)14-8-28-30-9-12(11-1-2-11)6-27-18(14)30/h5-9,11,16,31H,1-4,10H2,(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 103n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US10479794 (2019)


BindingDB Entry DOI: 10.7270/Q27083TT
More data for this
Ligand-Target Pair