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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 10A (PDE10A2)' and Ligand = 'BDBM194122'   
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
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194122
PNG
(US9200001, 38)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C2CC2c2nc3ccccc3[nH]2)cc1OC
Show InChI InChI=1/C27H27N7O2/c1-15-28-22(18-13-19(18)27-31-20-7-5-6-8-21(20)32-27)14-26(29-15)34-25(30-16(2)33-34)12-17-9-10-23(35-3)24(11-17)36-4/h5-11,14,18-19H,12-13H2,1-4H3,(H,31,32)
PDB

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PC cid
PC sid
UniChem
US Patent
0.00500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...


US Patent US9200001 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01M3
More data for this
Ligand-Target Pair