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BDBM50334652 3-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)phenoxy)methyl)isoquinoline::CHEMBL1642569

SMILES: Cn1cc(c(n1)-c1ccc(OCc2cc3ccccc3cn2)cc1)-c1ccncc1

InChI Key: InChIKey=XSGPLYCLJZZSPV-UHFFFAOYSA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 50334652   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50334652
PNG
(3-((4-(1-methyl-4-(pyridin-4-yl)-1H-pyrazol-3-yl)p...)
Show SMILES Cn1cc(c(n1)-c1ccc(OCc2cc3ccccc3cn2)cc1)-c1ccncc1
Show InChI InChI=1S/C25H20N4O/c1-29-16-24(18-10-12-26-13-11-18)25(28-29)19-6-8-23(9-7-19)30-17-22-14-20-4-2-3-5-21(20)15-27-22/h2-16H,17H2,1H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 0.180n/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A expressed in Sf9 cells using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem 19: 642-9 (2011)


Article DOI: 10.1016/j.bmc.2010.10.038
BindingDB Entry DOI: 10.7270/Q2TT4R73
More data for this
Ligand-Target Pair