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PDB code 2Y0J

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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

  (333/333 = 100%)
(Homo sapiens (Human))
BDBM50334653
PNG
(5-((1H-benzo[d]imidazol-2-yl)methylthio)-2-methyl-...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3nc4ccccc4[nH]3)n2n1
Show InChI InChI=1S/C18H14N6S/c1-11-19-17-12-6-2-3-7-13(12)22-18(24(17)23-11)25-10-16-20-14-8-4-5-9-15(14)21-16/h2-9H,10H2,1H3,(H,20,21)
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


Bioorg Med Chem Lett 21: 3738-42 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A

  (333/333 = 100%)
(Homo sapiens (Human))
BDBM50334653
PNG
(5-((1H-benzo[d]imidazol-2-yl)methylthio)-2-methyl-...)
Show SMILES Cc1nc2c3ccccc3nc(SCc3nc4ccccc4[nH]3)n2n1
Show InChI InChI=1S/C18H14N6S/c1-11-19-17-12-6-2-3-7-13(12)22-18(24(17)23-11)25-10-16-20-14-8-4-5-9-15(14)21-16/h2-9H,10H2,1H3,(H,20,21)
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Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem 19: 642-9 (2011)

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