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BDBM131011 US8829000, 86

SMILES: OCCN1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl

InChI Key: InChIKey=HEKFKHONEGWJMR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 131011   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM131011
PNG
(US8829000, 86)
Show SMILES OCCN1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
Show InChI InChI=1S/C23H28ClN5O3/c24-17-13-19-18(12-16(17)23(32)28-8-6-27(7-9-28)10-11-30)26-22(31)20-14-25-21(29(19)20)15-4-2-1-3-5-15/h12-15,30H,1-11H2,(H,26,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.54E+3n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
By a method similar to the measurement of PDE9-inhibiting activity, PDE5-inhibiting activity of each of the test compounds was measured, percent inhi...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (Human))
BDBM131011
PNG
(US8829000, 86)
Show SMILES OCCN1CCN(CC1)C(=O)c1cc2[nH]c(=O)c3cnc(C4CCCCC4)n3c2cc1Cl
Show InChI InChI=1S/C23H28ClN5O3/c24-17-13-19-18(12-16(17)23(32)28-8-6-27(7-9-28)10-11-30)26-22(31)20-14-25-21(29(19)20)15-4-2-1-3-5-15/h12-15,30H,1-11H2,(H,26,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8n/an/an/an/an/a30



ASKA Pharmaceutical Co., Ltd.

US Patent


Assay Description
To 150 uL of buffer B (70 mmol/L Tris-HCl, pH7.5, 16.7 mmol/L MgCl2, 33.3 nmol/L [3H]-cGMP) solution containing [3H]-cGMP (specific activity=244.2 GB...


US Patent US8829000 (2014)


BindingDB Entry DOI: 10.7270/Q2K072ZX
More data for this
Ligand-Target Pair