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PDB code 4TPP

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

  (338/338 = 100%)
(Homo sapiens (Human))
BDBM99037
PNG
(US8497265, 677)
Show SMILES CC(=O)N1CCC(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C27H27N5O2/c1-18(33)31-14-12-20(13-15-31)26-27(30-24-9-5-4-8-23(24)29-26)34-21-16-32(17-21)25-11-10-19-6-2-3-7-22(19)28-25/h2-11,20-21H,12-17H2,1H3
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PC cid
PC sid
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UniChem

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Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 10 (PDE10A)

  (313/334 = 94%)
(Rattus norvegicus (rat))
BDBM99037
PNG
(US8497265, 677)
Show SMILES CC(=O)N1CCC(CC1)c1nc2ccccc2nc1OC1CN(C1)c1ccc2ccccc2n1
Show InChI InChI=1S/C27H27N5O2/c1-18(33)31-14-12-20(13-15-31)26-27(30-24-9-5-4-8-23(24)29-26)34-21-16-32(17-21)25-11-10-19-6-2-3-7-22(19)28-25/h2-11,20-21H,12-17H2,1H3
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US Patent
n/an/a 2.90n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
Enzyme activity: An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale, Calif).


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

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