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BDBM97514 US8470820, 25

SMILES: OCCn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)-c1ccc2ccccc2n1

InChI Key: InChIKey=YNAXKEZCEMCSCE-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 97514   
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))
BDBM97514
PNG
(US8470820, 25)
Show SMILES OCCn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C27H24N8O2/c36-12-11-35-25(13-24(34-35)22-8-7-17-3-1-2-4-20(17)31-22)33-27(37)26-23(30-19-14-28-16-29-15-19)10-9-21(32-26)18-5-6-18/h1-4,7-10,13-16,18,30,36H,5-6,11-12H2,(H,33,37)
PDB
MMDB

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Similars

US Patent
n/an/a<1n/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