BDBM120470 Roche-Dataset for PDE10A, Compound 681::US8703768, 70

SMILES CC(C)(O)CNC(=O)c1ccncc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1

InChI Key InChIKey=OPRLZCJBXDOIMR-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 120470   

TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
F. Hoffmann-La Roche

LigandBDBM120470(Roche-Dataset for PDE10A, Compound 681 | US8703768...)Copy SMILESCopy InChI

Affinity DataIC50:  2.08nMAssay Description:Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
F. Hoffmann-La Roche

LigandBDBM120470(Roche-Dataset for PDE10A, Compound 681 | US8703768...)Copy SMILESCopy InChI

Affinity DataIC50:  2.10nMAssay Description:PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In DepthDetails US Patent
PDB3D Structure (crystal)
Copy BDB DOI