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BDBM171885 US9085584, 51

SMILES: CC(C)c1ccc2nc(C)c3nnc(-c4cc(OCC(C)(C)O)ccc4C)n3c2n1

InChI Key: InChIKey=AGOONQFGNBSTSQ-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 = 171885   
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))
BDBM171885
PNG
(US9085584, 51)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(OCC(C)(C)O)ccc4C)n3c2n1
Show InChI InChI=1S/C23H27N5O2/c1-13(2)18-9-10-19-22(25-18)28-20(15(4)24-19)26-27-21(28)17-11-16(8-7-14(17)3)30-12-23(5,6)29/h7-11,13,29H,12H2,1-6H3
PDB
MMDB

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DrugBank
antibodypedia
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PC cid
PC sid
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Similars

US Patent
n/an/a 2.15E+3n/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))
BDBM171885
PNG
(US9085584, 51)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(OCC(C)(C)O)ccc4C)n3c2n1
Show InChI InChI=1S/C23H27N5O2/c1-13(2)18-9-10-19-22(25-18)28-20(15(4)24-19)26-27-21(28)17-11-16(8-7-14(17)3)30-12-23(5,6)29/h7-11,13,29H,12H2,1-6H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9n/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