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BDBM50362032 CHEMBL1939911

SMILES: COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCC3)c2c1

InChI Key: InChIKey=ZBGCKIHSROAHDB-UHFFFAOYSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50362032   
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))
BDBM50362032
PNG
(CHEMBL1939911)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCC3)c2c1
Show InChI InChI=1S/C18H22N4O/c1-11-8-13(23-3)9-14-15(10-22-6-4-5-7-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)
PDB
MMDB

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Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from human recombinant PDE10A1 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.023
BindingDB Entry DOI: 10.7270/Q2862GWC
More data for this
Ligand-Target Pair