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BDBM50350804 CHEMBL1819128

SMILES: COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OCCc1ccccn1

InChI Key: InChIKey=DWBBOQWADWMQGE-UHFFFAOYSA-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 = 50350804   
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))
BDBM50350804
PNG
(CHEMBL1819128)
Show SMILES COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OCCc1ccccn1
Show InChI InChI=1S/C27H28N4O2/c1-32-25-17-24-23(16-26(25)33-15-12-22-11-5-6-13-28-22)27(30-19-29-24)31-14-7-10-21(18-31)20-8-3-2-4-9-20/h2-6,8-9,11,13,16-17,19,21H,7,10,12,14-15,18H2,1H3
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Article
PubMed
n/an/a 247n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat PDE10A expressed in Sf9 cells using [3H]cAMP after 30 mins by scintillation proximity assay


J Med Chem 54: 4536-47 (2011)

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