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PDB code 4P0N

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 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

  (338/338 = 100%)
(Homo sapiens (Human))
BDBM50021260
PNG
(CHEMBL3287907)
Show SMILES COc1nc2cccnc2n1[C@H]1C[C@@H](C1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12-
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PC sid
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Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)

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

  (338/338 = 100%)
(Homo sapiens (Human))
BDBM50021256
PNG
(CHEMBL3287905)
Show SMILES COc1nc2cccnc2n1C1CC(C1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)
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PubMed
n/an/a 2.20n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (2014)

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

  (338/338 = 100%)
(Homo sapiens (Human))
BDBM50021259
PNG
(CHEMBL3287906)
Show SMILES COc1nc2cccnc2n1[C@@H]1C[C@@H](C1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C18H17N5OS/c1-24-18-22-14-6-4-8-19-16(14)23(18)12-9-11(10-12)20-17-21-13-5-2-3-7-15(13)25-17/h2-8,11-12H,9-10H2,1H3,(H,20,21)/t11-,12+
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PubMed
n/an/a 3.40n/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A using cAMP as substrate after 1 hr by IMAP-FRET assay


ACS Med Chem Lett 5: 700-5 (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