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BDBM171902 US9085584, 61

SMILES: CCCC(O)c1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12

InChI Key: InChIKey=NBSFRDYQPJRINF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 171902   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM171902
PNG
(US9085584, 61)
Show SMILES CCCC(O)c1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
Show InChI InChI=1S/C20H20ClN5O/c1-4-5-17(27)13-7-8-15(21)14(10-13)19-25-24-18-12(3)23-16-9-6-11(2)22-20(16)26(18)19/h6-10,17,27H,4-5H2,1-3H3
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Similars

US Patent
n/an/a 534n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM171902
PNG
(US9085584, 61)
Show SMILES CCCC(O)c1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
Show InChI InChI=1S/C20H20ClN5O/c1-4-5-17(27)13-7-8-15(21)14(10-13)19-25-24-18-12(3)23-16-9-6-11(2)22-20(16)26(18)19/h6-10,17,27H,4-5H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...


US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair