BindingDB logo
myBDB logout

BDBM50003981 CHEMBL2180431

SMILES: COc1c(C)cc(COc2ccc(cc2)-c2cccnc2N2CCc3ncccc3C2)nc1C

InChI Key: InChIKey=NYGOUEMWJJNNEX-UHFFFAOYSA-N

Data: 1 KI

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 = 50003981   
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))
BDBM50003981
PNG
(CHEMBL2180431)
Show SMILES COc1c(C)cc(COc2ccc(cc2)-c2cccnc2N2CCc3ncccc3C2)nc1C
Show InChI InChI=1S/C28H28N4O2/c1-19-16-23(31-20(2)27(19)33-3)18-34-24-10-8-21(9-11-24)25-7-5-14-30-28(25)32-15-12-26-22(17-32)6-4-13-29-26/h4-11,13-14,16H,12,15,17-18H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of PDE10A by fluorescence polarization assay


J Med Chem 55: 7299-331 (2012)


Article DOI: 10.1021/jm3004976
BindingDB Entry DOI: 10.7270/Q2C24XJK
More data for this
Ligand-Target Pair