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BDBM279028 5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((1-methyl-1H-imidazol-4-yl)methyl)-1H-pyrazolo[4,3-b]pyridin-7-amine 2,2,2-trifluoroacetate::US10034861, Example 58

SMILES: CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C

InChI Key: InChIKey=LRTCNZDFQQIFPH-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 279028   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279028
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H27N7O/c1-6-30-22-17(8-7-9-23-22)18-10-19(24-11-16-12-28(5)13-25-16)21-20(26-18)15(4)27-29(21)14(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,24,26)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.10n/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 1C (PDE1C)


(Homo sapiens (Human))
BDBM279028
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H27N7O/c1-6-30-22-17(8-7-9-23-22)18-10-19(24-11-16-12-28(5)13-25-16)21-20(26-18)15(4)27-29(21)14(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,24,26)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.10n/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))
BDBM279028
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H27N7O/c1-6-30-22-17(8-7-9-23-22)18-10-19(24-11-16-12-28(5)13-25-16)21-20(26-18)15(4)27-29(21)14(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.170n/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