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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase, PDE1/PDE5' and Ligand = 'BDBM279096'   
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, PDE1/PDE5


(Homo sapiens (Human))
BDBM279096
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C21H27N9O/c1-6-13(3)30-20-17(23-12-18-25-28-29(5)27-18)11-16(24-19(20)14(4)26-30)15-9-8-10-22-21(15)31-7-2/h8-11,13H,6-7,12H2,1-5H3,(H,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.310n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair