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BDBM127923 US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-vinyl]-5H-imidazo[2,1-a]isoindole::US9062060, Table 1, Compound 4

SMILES: Cc1cnc(C)c2nc(C=Cc3cn4Cc5ccccc5-c4n3)nn12

InChI Key: InChIKey=UXSSEAFAQUPALG-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 = 127923   
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))
BDBM127923
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1cnc(C)c2nc(C=Cc3cn4Cc5ccccc5-c4n3)nn12 |w:10.10|
Show InChI InChI=1S/C19H16N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-9,11H,10H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (sufficient to convert 20-25% of the cyclic nucleotide s...


US Patent US9062060 (2015)


BindingDB Entry DOI: 10.7270/Q25719S0
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM127923
PNG
(US8796304, 2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1cnc(C)c2nc(C=Cc3cn4Cc5ccccc5-c4n3)nn12 |w:10.10|
Show InChI InChI=1S/C19H16N6/c1-12-9-20-13(2)18-22-17(23-25(12)18)8-7-15-11-24-10-14-5-3-4-6-16(14)19(24)21-15/h3-9,11H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8796304 (2014)


BindingDB Entry DOI: 10.7270/Q2FN14WW
More data for this
Ligand-Target Pair