new BindingDB logo
myBDB logout

BDBM125579 US8772316, 62

SMILES: CCCc1[nH]c(=O)c(Cc2cc3cc4OCOc4cc3nc2NC)c2cc(OC)c(OC)cc12

InChI Key: InChIKey=HQHPOVRMMNJFSK-UHFFFAOYSA-N

Data: 1 IC50

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 = 125579   
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))
BDBM125579
PNG
(US8772316, 62)
Show SMILES CCCc1[nH]c(=O)c(Cc2cc3cc4OCOc4cc3nc2NC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H27N3O5/c1-5-6-19-17-11-22(32-4)21(31-3)10-16(17)18(26(30)29-19)8-15-7-14-9-23-24(34-13-33-23)12-20(14)28-25(15)27-2/h7,9-12H,5-6,8,13H2,1-4H3,(H,27,28)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair