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BDBM279078 5-(2-ethoxy-3-pyridyl)-N-[(1-ethylpyrazol-4-yl)methyl]-1-isopropyl-3-methyl-pyrazolo[4,3-b]pyridin-7-amine::US10034861, Example 109

SMILES: CCOc1ncccc1-c1cc(NCc2cnn(CC)c2)c2n(nc(C)c2n1)C(C)C

InChI Key: InChIKey=IEORIQPBXNSJCP-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 = 279078   
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))
BDBM279078
PNG
(5-(2-ethoxy-3-pyridyl)-N-[(1-ethylpyrazol-4-yl)met...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(CC)c2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H29N7O/c1-6-29-14-17(13-26-29)12-25-20-11-19(18-9-8-10-24-23(18)31-7-2)27-21-16(5)28-30(15(3)4)22(20)21/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,27)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.90n/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))
BDBM279078
PNG
(5-(2-ethoxy-3-pyridyl)-N-[(1-ethylpyrazol-4-yl)met...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(CC)c2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H29N7O/c1-6-29-14-17(13-26-29)12-25-20-11-19(18-9-8-10-24-23(18)31-7-2)27-21-16(5)28-30(15(3)4)22(20)21/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,27)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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))
BDBM279078
PNG
(5-(2-ethoxy-3-pyridyl)-N-[(1-ethylpyrazol-4-yl)met...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(CC)c2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H29N7O/c1-6-29-14-17(13-26-29)12-25-20-11-19(18-9-8-10-24-23(18)31-7-2)27-21-16(5)28-30(15(3)4)22(20)21/h8-11,13-15H,6-7,12H2,1-5H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.660n/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