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BDBM50397965 CHEMBL2180789

SMILES: FC(F)(F)Oc1cccc(c1)-n1ccc(=O)c(n1)-c1ccnn1-c1ccccc1

InChI Key: InChIKey=NAIXHNHQENAMNS-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50397965   
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))
BDBM50397965
PNG
(CHEMBL2180789)
Show SMILES FC(F)(F)Oc1cccc(c1)-n1ccc(=O)c(n1)-c1ccnn1-c1ccccc1
Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)29-16-8-4-7-15(13-16)26-12-10-18(28)19(25-26)17-9-11-24-27(17)14-5-2-1-3-6-14/h1-13H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDEDA2 using [3H]cGMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 7299-331 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)