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BDBM124444 US8759532, 99

SMILES: O=C(c1nc2ccccc2[nH]1)c1ccc(Oc2ncccc2C2CCOCC2)cc1

InChI Key: InChIKey=NQQHFVCQMJVYTB-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 = 124444   
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))
BDBM124444
PNG
(US8759532, 99)
Show SMILES O=C(c1nc2ccccc2[nH]1)c1ccc(Oc2ncccc2C2CCOCC2)cc1
Show InChI InChI=1S/C24H21N3O3/c28-22(23-26-20-5-1-2-6-21(20)27-23)17-7-9-18(10-8-17)30-24-19(4-3-13-25-24)16-11-14-29-15-12-16/h1-10,13,16H,11-12,14-15H2,(H,26,27)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 0.170n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
To check the inhibition profile, 5 μL of serial diluted compounds were incubated with 5 μL of diluted PDE10 enzyme (BPS Bioscience, San Die...


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