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BDBM239792 US9394311, 75

SMILES: CCc1cnc(C)n2nc(CCc3nc(nn3C)N3CCCC3)nc12

InChI Key: InChIKey=GCXBODMFGFPZET-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 239792   
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))
BDBM239792
PNG
(US9394311, 75)
Show SMILES CCc1cnc(C)n2nc(CCc3nc(nn3C)N3CCCC3)nc12
Show InChI InChI=1S/C17H24N8/c1-4-13-11-18-12(2)25-16(13)19-14(21-25)7-8-15-20-17(22-23(15)3)24-9-5-6-10-24/h11H,4-10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 3.78n/an/an/an/an/a25



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM M...


US Patent US9394311 (2016)


BindingDB Entry DOI: 10.7270/Q27D2T2H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)