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BDBM97540 US8470820, 51

SMILES: O=C(Nc1cc(no1)-c1ccccn1)c1nc(ccc1Nc1cncnc1)C1CC1

InChI Key: InChIKey=ILSADPHUWPIEGH-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 = 97540   
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))
BDBM97540
PNG
(US8470820, 51)
Show SMILES O=C(Nc1cc(no1)-c1ccccn1)c1nc(ccc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C21H17N7O2/c29-21(27-19-9-18(28-30-19)16-3-1-2-8-24-16)20-17(25-14-10-22-12-23-11-14)7-6-15(26-20)13-4-5-13/h1-3,6-13,25H,4-5H2,(H,27,29)
PDB
MMDB

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Similars

US Patent
n/an/a 4n/an/an/an/a7.5n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Scintillation proximity assay using human PDE10A.


US Patent US8470820 (2013)


BindingDB Entry DOI: 10.7270/Q2J96501
More data for this
Ligand-Target Pair