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SMILES: C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=VLQMJAVPQYTEKB-YUMQZZPRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122348   
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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122348
PNG
(US8729113, 75)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(Cl)c1 |r,c:7|
Show InChI InChI=1S/C12H14Cl2N2O2/c1-7(4-8-6-17-12(15)16-8)18-9-2-3-10(13)11(14)5-9/h2-3,5,7-8H,4,6H2,1H3,(H2,15,16)/t7-,8-/m0/s1
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Similars
US Patent
 1 -11.4n/an/an/an/an/an/a4



Hoffmann-La Roche Inc.

US Patent


Assay Description
Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-...

US Patent US8729113 (2014)


BindingDB Entry DOI: 10.7270/Q20Z71ZW
More data for this
Ligand-Target Pair