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SMILES: COC(=O)N1CCC(CC1)c1cccnc1O[C@@H]1C[C@@H](C1)Nc1nc2ccccc2s1

InChI Key: InChIKey=PDQMWNKSPGNNOB-CALCHBBNSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 144697   
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))
BDBM144697
PNG
(US8952037, 70)
Show SMILES COC(=O)N1CCC(CC1)c1cccnc1O[C@@H]1C[C@@H](C1)Nc1nc2ccccc2s1 |r,wD:17.18,19.23,(-3.32,3.91,;-4.65,4.68,;-5.98,3.91,;-7.07,4.99,;-5.98,2.37,;-7.32,1.54,;-7.32,,;-5.98,-.77,;-4.65,,;-4.65,1.54,;-5.98,-2.31,;-7.32,-3.08,;-7.32,-4.62,;-5.98,-5.39,;-4.65,-4.62,;-4.65,-3.08,;-3.32,-2.31,;-1.98,-3.08,;-.5,-2.68,;-.1,-4.17,;-1.58,-4.57,;1.24,-4.94,;2.57,-4.17,;2.73,-2.64,;4.24,-2.32,;5.01,-.98,;6.55,-.98,;7.32,-2.32,;6.55,-3.65,;5.01,-3.65,;3.98,-4.8,)|
Show InChI InChI=1S/C23H26N4O3S/c1-29-23(28)27-11-8-15(9-12-27)18-5-4-10-24-21(18)30-17-13-16(14-17)25-22-26-19-6-2-3-7-20(19)31-22/h2-7,10,15-17H,8-9,11-14H2,1H3,(H,25,26)/t16-,17+
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MMDB

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Similars

US Patent
n/an/a 3.18n/an/an/an/an/a25



Amgen Inc.

US Patent


Assay Description
Enzyme Activity. An IMAP TR-FRET assay was used to analyze the enzyme activity (Molecular Devices Corp., Sunnyvale Calif.). 5 uL, of serial diluted P...


US Patent US8952037 (2015)


BindingDB Entry DOI: 10.7270/Q23X85CW
More data for this
Ligand-Target Pair