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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase, PDE1/PDE5' and Ligand = 'BDBM279088'   
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))
BDBM279088
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C22H27N7O/c1-5-14(3)29-21-19(24-13-16-9-11-25-27-16)12-18(26-20(21)15(4)28-29)17-8-7-10-23-22(17)30-6-2/h7-12,14H,5-6,13H2,1-4H3,(H,24,26)(H,25,27)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.270n/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
Phosphodiesterase, PDE1/PDE5


(Homo sapiens (Human))
BDBM279088
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc[nH]n2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C22H27N7O/c1-5-14(3)29-21-19(24-13-16-9-11-25-27-16)12-18(26-20(21)15(4)28-29)17-8-7-10-23-22(17)30-6-2/h7-12,14H,5-6,13H2,1-4H3,(H,24,26)(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.560n/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