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SMILES: COc1ccc2nc(NCCNC(C)=O)c(Cc3c4cc(OC)c(OC)cc4c(C)[nH]c3=O)cc2c1

InChI Key: InChIKey=AGIISHUEHBCLLI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 125590   
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))		BDBM125590
PNG
(US8772316, 73)
Show SMILES COc1ccc2nc(NCCNC(C)=O)c(Cc3c4cc(OC)c(OC)cc4c(C)[nH]c3=O)cc2c1
Show InChI InChI=1S/C27H30N4O5/c1-15-20-13-24(35-4)25(36-5)14-21(20)22(27(33)30-15)12-18-10-17-11-19(34-3)6-7-23(17)31-26(18)29-9-8-28-16(2)32/h6-7,10-11,13-14H,8-9,12H2,1-5H3,(H,28,32)(H,29,31)(H,30,33)
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Similars
US Patent
n/an/a 2.70n/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