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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B' and Ligand = 'BDBM462252'   
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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM462252
PNG
(US10766893, Example 5b | US10766893, Example 6b)
Show SMILES CCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C22H28N8O/c1-6-14(3)30-21-19(23-11-16-12-25-29(5)13-16)10-18(26-20(21)15(4)28-30)17-8-9-24-27-22(17)31-7-2/h8-10,12-14H,6-7,11H2,1-5H3,(H,23,26)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.360n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


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


US Patent US10766893 (2020)


BindingDB Entry DOI: 10.7270/Q2ZP495P
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM462252
PNG
(US10766893, Example 5b | US10766893, Example 6b)
Show SMILES CCOc1nnccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)CC
Show InChI InChI=1S/C22H28N8O/c1-6-14(3)30-21-19(23-11-16-12-25-29(5)13-16)10-18(26-20(21)15(4)28-30)17-8-9-24-27-22(17)31-7-2/h8-10,12-14H,6-7,11H2,1-5H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.10n/an/an/an/an/an/a



H. Lundbeck A/S

US Patent


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


US Patent US10766893 (2020)


BindingDB Entry DOI: 10.7270/Q2ZP495P
More data for this
Ligand-Target Pair