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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4B' and Ligand = 'BDBM135815'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM135815
PNG
(US10085990, Example 51 | US10568888, Example 51 | ...)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cc(C)cs2)c1=O
Show InChI InChI=1S/C22H21N3O3S/c1-13-10-18(29-12-13)25-21(26)16-11-23-19-15(8-5-9-17(19)28-2)20(16)24(22(25)27)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 126n/an/an/an/an/an/a



High Point Pharmaceuticals, LLC

US Patent


Assay Description
A TR-FRET-based phosphodiesterase assay kit from "Molecular Devices" was used to test whether these compounds were indeed direct inhibitors of the PD...


US Patent US8853226 (2014)


BindingDB Entry DOI: 10.7270/Q28C9TZS
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM135815
PNG
(US10085990, Example 51 | US10568888, Example 51 | ...)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cc(C)cs2)c1=O
Show InChI InChI=1S/C22H21N3O3S/c1-13-10-18(29-12-13)25-21(26)16-11-23-19-15(8-5-9-17(19)28-2)20(16)24(22(25)27)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 126n/an/an/an/an/an/a



vTv Therapeutics LLC

US Patent


Assay Description
The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffer (DTT or Mn...


US Patent US10568888 (2020)


BindingDB Entry DOI: 10.7270/Q2ST7S7B
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM135815
PNG
(US10085990, Example 51 | US10568888, Example 51 | ...)
Show SMILES COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cc(C)cs2)c1=O
Show InChI InChI=1S/C22H21N3O3S/c1-13-10-18(29-12-13)25-21(26)16-11-23-19-15(8-5-9-17(19)28-2)20(16)24(22(25)27)14-6-3-4-7-14/h5,8-12,14H,3-4,6-7H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 126n/an/an/an/an/a25



vTv Therapeutics LLC

US Patent


Assay Description
The assay buffer was prepared by diluting 5× supplied Tween-based buffer in 1:5 in water to make 1× buffer. Add desired additive to buffer (DTT or Mn...


US Patent US10085990 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0QRM
More data for this
Ligand-Target Pair