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SMILES: Brc1ccccc1-n1c(SCC2CCCCC2)nc2ccccc2c1=O

InChI Key: InChIKey=MUIPKXJMKZWFQA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 350887   
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
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))		BDBM350887
PNG
(3-(2-Bromophenyl)-2-cyclohexylmethylthio-4-oxo-3,4...)
Show SMILES Brc1ccccc1-n1c(SCC2CCCCC2)nc2ccccc2c1=O |(1.33,-5.39,;,-4.62,;-1.33,-5.39,;-2.67,-4.62,;-2.67,-3.08,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-4,-.77,;-5.33,,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,)|
Show InChI InChI=1S/C21H21BrN2OS/c22-17-11-5-7-13-19(17)24-20(25)16-10-4-6-12-18(16)23-21(24)26-14-15-8-2-1-3-9-15/h4-7,10-13,15H,1-3,8-9,14H2
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US Patent
n/an/a 2.11E+3n/an/an/an/an/an/a



CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS

US Patent


Assay Description
Measurement of PDE7 inhibition was carried out using a commercial phosphodiesterase activity measurement kit.Some of the compounds of the present inv...

US Patent US9796687 (2017)


BindingDB Entry DOI: 10.7270/Q2NV9MDC
More data for this
Ligand-Target Pair