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SMILES: Cn1ncnc1COc1nn2c(nncc2c1-c1cccc(CO)c1)-c1ccccc1F

InChI Key: InChIKey=NKSBSXBZWIZUKS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50185500   
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))		BDBM50185500
PNG
((3-(7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triaz...)
Show SMILES Cn1ncnc1COc1nn2c(nncc2c1-c1cccc(CO)c1)-c1ccccc1F
Show InChI InChI=1S/C22H18FN7O2/c1-29-19(24-13-26-29)12-32-22-20(15-6-4-5-14(9-15)11-31)18-10-25-27-21(30(18)28-22)16-7-2-3-8-17(16)23/h2-10,13,31H,11-12H2,1H3
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Similars
Article
PubMed
 6.60n/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