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SMILES: Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1c(F)cccc1F

InChI Key: InChIKey=COIHYICCVMGEJO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50185517   
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
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2


(Homo sapiens (Human))		BDBM50185517
PNG
(7-(2,6-difluorophenyl)-3-(2-fluorophenyl)-2-((2-me...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1ccccc1F)-c1c(F)cccc1F |(-5.19,-4.77,;-6.72,-4.54,;-7.79,-5.65,;-9.17,-4.97,;-8.95,-3.45,;-7.43,-3.18,;-6.66,-1.85,;-7.42,-.51,;-6.65,.82,;-5.11,.98,;-4.78,2.48,;-3.44,3.26,;-3.45,4.81,;-4.79,5.57,;-6.11,4.8,;-6.12,3.26,;-7.27,2.23,;-8.6,3,;-8.6,4.53,;-9.93,5.3,;-11.27,4.52,;-11.26,2.98,;-9.92,2.22,;-9.91,.68,;-2.11,2.49,;-.78,3.26,;-.79,4.8,;.55,2.5,;.56,.95,;-.78,.18,;-2.11,.95,;-3.44,.18,)|
Show InChI InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-18(12-5-2-3-6-13(12)22)16-9-26-28-20(31(16)29-21)19-14(23)7-4-8-15(19)24/h2-9,11H,10H2,1H3
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Similars
Article
PubMed
 0.520n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of [3H]Ro15-1788 binding to human recombinant GABA-Aalpha3 plus beta3gamma2 receptor expressed in L(tk-) cells

Bioorg Med Chem Lett 16: 3550-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.081
BindingDB Entry DOI: 10.7270/Q21J99CH
More data for this
Ligand-Target Pair