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PDB code 3WS9

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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

  (342/344 > 99%)
(Homo sapiens (Human))
BDBM50019116
PNG
(CHEMBL3288411)
Show SMILES Cc1ccc2n(c(CCc3ncc4cccnn34)nc2c1)-c1ccccc1
Show InChI InChI=1S/C22H19N5/c1-16-9-10-20-19(14-16)25-22(26(20)17-6-3-2-4-7-17)12-11-21-23-15-18-8-5-13-24-27(18)21/h2-10,13-15H,11-12H2,1H3
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MMDB

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n/an/a 92n/an/an/an/an/an/a



Yamanouchi Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A expressed in Sf9 insect cell system assessed as inhibition of cAMP hydrolysis preincubated for 30 mins before ...


Bioorg Med Chem 22: 3515-26 (2014)

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

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output