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BDBM50014905 CHEMBL3262043

SMILES: CO[C@@H](C)Cn1cc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1

InChI Key: InChIKey=DPAWKOUFAHFNNS-ZDUSSCGKSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50014905   
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
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50014905
PNG
(CHEMBL3262043)
Show SMILES CO[C@@H](C)Cn1cc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1
Show InChI InChI=1S/C18H24N6O2/c1-13(25-3)11-23-12-15(10-20-23)16-14(2)21-18-17(19-4-5-24(16)18)22-6-8-26-9-7-22/h4-5,10,12-13H,6-9,11H2,1-3H3/t13-/m0/s1
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MMDB

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PC sid
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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Janssen Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant PDE10A expressed in baculovirus infected Sf9 cells using [3H]cAMP as substrate after 60 mins by TopCount scintillation ...


J Med Chem 57: 4196-212 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)