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SMILES: CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=RVPFDTKZDDSKCH-QWRGUYRKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 122372   
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))		BDBM122372
PNG
(US8729113, 121)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(cc1)C(F)(F)F |r,c:8|
Show InChI InChI=1S/C14H17F3N2O2/c1-2-11(7-10-8-20-13(18)19-10)21-12-5-3-9(4-6-12)14(15,16)17/h3-6,10-11H,2,7-8H2,1H3,(H2,18,19)/t10-,11-/m0/s1
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Similars
US Patent
 3.80 -10.7n/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