BindingDB logo
myBDB logout

BDBM120674 US8703768, 275

SMILES: CC1(COC1)NC(=O)c1ncccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1

InChI Key: InChIKey=ABELAFVBUKBPTB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 120674   
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))
BDBM120674
PNG
(US8703768, 275)
Show SMILES CC1(COC1)NC(=O)c1ncccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H22N8O3/c1-22(10-33-11-22)30-21(32)17-15(3-2-6-25-17)29-20(31)18-19(27-14-7-23-12-24-8-14)26-9-16(28-18)13-4-5-13/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,26,27)(H,29,31)(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.400n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...


US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair