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BDBM50362722 CHEMBL1939800

SMILES: COc1cc(C)c2nc3[nH]nc(C)c3c(NCc3ccncc3)c2c1

InChI Key: InChIKey=WVFZLLHYILMVBO-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362722   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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


(Homo sapiens (Human))
BDBM50362722
PNG
(CHEMBL1939800)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCc3ccncc3)c2c1
Show InChI InChI=1S/C19H19N5O/c1-11-8-14(25-3)9-15-17(11)22-19-16(12(2)23-24-19)18(15)21-10-13-4-6-20-7-5-13/h4-9H,10H2,1-3H3,(H2,21,22,23,24)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
0.600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 22: 1019-22 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.127
BindingDB Entry DOI: 10.7270/Q2BV7H3J
More data for this
Ligand-Target Pair