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Patent code US8729113

Compile Data Set for Download or QSAR
Found 97 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM122323
PNG
(US8729113, 35)
Show SMILES NC1=N[C@@H](CCOc2cccc(Br)c2)CO1 |r,t:1|
Show InChI InChI=1S/C11H13BrN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1
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US Patent
 0.100 -53.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122301
PNG
(US8729113, 8)
Show SMILES NC1=N[C@@H](CCOc2ccc(F)c(Cl)c2)CO1 |r,t:1|
Show InChI InChI=1S/C11H12ClFN2O2/c12-9-5-8(1-2-10(9)13)16-4-3-7-6-17-11(14)15-7/h1-2,5,7H,3-4,6H2,(H2,14,15)/t7-/m0/s1
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US Patent
 0.200 -51.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122298
PNG
(US8729113, 5)
Show SMILES NC1=N[C@@H](CCOc2cccc(Cl)c2)CO1 |r,t:1|
Show InChI InChI=1S/C11H13ClN2O2/c12-8-2-1-3-10(6-8)15-5-4-9-7-16-11(13)14-9/h1-3,6,9H,4-5,7H2,(H2,13,14)/t9-/m0/s1
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 0.300 -50.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122333
PNG
(US8729113, 57)
Show SMILES NC1=N[C@@H](CCOc2ccc(Cl)c(Cl)c2)CO1 |r,t:1|
Show InChI InChI=1S/C11H12Cl2N2O2/c12-9-2-1-8(5-10(9)13)16-4-3-7-6-17-11(14)15-7/h1-2,5,7H,3-4,6H2,(H2,14,15)/t7-/m0/s1
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 0.300 -50.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122380
PNG
(US8729113, 136)
Show SMILES NC1=N[C@@H](CCOc2cccc(c2)C(=O)OCc2ccccc2)CO1 |r,t:1|
Show InChI InChI=1S/C19H20N2O4/c20-19-21-16(13-25-19)9-10-23-17-8-4-7-15(11-17)18(22)24-12-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2,(H2,20,21)/t16-/m0/s1
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 0.400 -49.9n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122318
PNG
(US8729113, 30)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccc(Cl)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C14H17ClN2O/c15-11-3-1-10(2-4-11)14(7-8-14)6-5-12-9-18-13(16)17-12/h1-4,12H,5-9H2,(H2,16,17)/t12-/m0/s1
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 0.400 -49.9n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122319
PNG
(US8729113, 31)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccccc2)CO1 |r,t:1|
Show InChI InChI=1S/C14H18N2O/c15-13-16-12(10-17-13)6-7-14(8-9-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,16)/t12-/m0/s1
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 0.5 -49.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122296
PNG
(US8729113, 3)
Show SMILES NC1=N[C@@H](CCOc2ccc(Cl)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C11H13ClN2O2/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,9H,5-7H2,(H2,13,14)/t9-/m0/s1
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 0.5 -49.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122385
PNG
(US8729113, 144)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccc(Br)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C14H17BrN2O/c15-11-3-1-10(2-4-11)14(7-8-14)6-5-12-9-18-13(16)17-12/h1-4,12H,5-9H2,(H2,16,17)/t12-/m0/s1
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 0.5 -49.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122357
PNG
(US8729113, 91)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccc(F)c(Cl)c2)CO1 |r,t:1|
Show InChI InChI=1S/C14H16ClFN2O/c15-11-7-9(1-2-12(11)16)14(5-6-14)4-3-10-8-19-13(17)18-10/h1-2,7,10H,3-6,8H2,(H2,17,18)/t10-/m0/s1
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 0.600 -48.9n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122320
PNG
(US8729113, 32)
Show SMILES Cc1cccc(OCC[C@H]2COC(N)=N2)c1 |r,c:13|
Show InChI InChI=1S/C12H16N2O2/c1-9-3-2-4-11(7-9)15-6-5-10-8-16-12(13)14-10/h2-4,7,10H,5-6,8H2,1H3,(H2,13,14)/t10-/m0/s1
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 0.700 -48.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122377
PNG
(US8729113, 130)
Show SMILES NC1=N[C@@H](CCOc2cc(F)cc(F)c2)CO1 |r,t:1|
Show InChI InChI=1S/C11H12F2N2O2/c12-7-3-8(13)5-10(4-7)16-2-1-9-6-17-11(14)15-9/h3-5,9H,1-2,6H2,(H2,14,15)/t9-/m0/s1
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 0.700 -48.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122386
PNG
(US8729113, 150)
Show SMILES NC1=N[C@@H](CCSc2ccc(F)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C11H13FN2OS/c12-8-1-3-10(4-2-8)16-6-5-9-7-15-11(13)14-9/h1-4,9H,5-7H2,(H2,13,14)/t9-/m0/s1
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 0.700 -48.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122373
PNG
(US8729113, 122)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(Cl)c1 |r,c:8|
Show InChI InChI=1S/C13H16Cl2N2O2/c1-2-9(5-8-7-18-13(16)17-8)19-10-3-4-11(14)12(15)6-10/h3-4,6,8-9H,2,5,7H2,1H3,(H2,16,17)/t8-,9-/m0/s1
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 0.700 -48.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122315
PNG
(US8729113, 26)
Show SMILES CC(C)(CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C14H19ClN2O/c1-14(2,10-3-5-11(15)6-4-10)8-7-12-9-18-13(16)17-12/h3-6,12H,7-9H2,1-2H3,(H2,16,17)/t12-/m0/s1
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 0.700 -48.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122322
PNG
(US8729113, 34)
Show SMILES NC1=N[C@@H](CCOc2cccc(OCc3ccccc3)c2)CO1 |r,t:1|
Show InChI InChI=1S/C18H20N2O3/c19-18-20-15(13-23-18)9-10-21-16-7-4-8-17(11-16)22-12-14-5-2-1-3-6-14/h1-8,11,15H,9-10,12-13H2,(H2,19,20)/t15-/m0/s1
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 0.800 -48.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122297
PNG
(US8729113, 4)
Show SMILES NC1=N[C@@H](CCOc2cccc(c2)C(F)(F)F)CO1 |r,t:1|
Show InChI InChI=1S/C12H13F3N2O2/c13-12(14,15)8-2-1-3-10(6-8)18-5-4-9-7-19-11(16)17-9/h1-3,6,9H,4-5,7H2,(H2,16,17)/t9-/m0/s1
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 0.900 -48.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122381
PNG
(US8729113, 140)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(OCc2ccccc2)c1 |r,c:8|
Show InChI InChI=1S/C20H24N2O3/c1-2-17(11-16-14-24-20(21)22-16)25-19-10-6-9-18(12-19)23-13-15-7-4-3-5-8-15/h3-10,12,16-17H,2,11,13-14H2,1H3,(H2,21,22)/t16-,17-/m0/s1
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 0.900 -48.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122384
PNG
(US8729113, 143)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2cc(F)cc(Cl)c2)CO1 |r,t:1|
Show InChI InChI=1S/C14H16ClFN2O/c15-10-5-9(6-11(16)7-10)14(3-4-14)2-1-12-8-19-13(17)18-12/h5-7,12H,1-4,8H2,(H2,17,18)/t12-/m0/s1
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 0.900 -48.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122375
PNG
(US8729113, 124)
Show SMILES CCC(CC[C@H]1COC(N)=N1)c1cc(F)cc(F)c1 |r,c:9|
Show InChI InChI=1S/C14H18F2N2O/c1-2-9(3-4-13-8-19-14(17)18-13)10-5-11(15)7-12(16)6-10/h5-7,9,13H,2-4,8H2,1H3,(H2,17,18)/t9?,13-/m0/s1
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 1 -47.8n/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
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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 1 -47.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122338
PNG
(US8729113, 63)
Show SMILES NC1=N[C@@H](CCOc2cccc(c2)C#N)CO1 |r,t:1|
Show InChI InChI=1S/C12H13N3O2/c13-7-9-2-1-3-11(6-9)16-5-4-10-8-17-12(14)15-10/h1-3,6,10H,4-5,8H2,(H2,14,15)/t10-/m0/s1
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 1 -47.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122359
PNG
(US8729113, 107)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1 |r,c:8|
Show InChI InChI=1S/C13H17ClN2O2/c1-2-11(7-10-8-17-13(15)16-10)18-12-5-3-9(14)4-6-12/h3-6,10-11H,2,7-8H2,1H3,(H2,15,16)/t10-,11-/m0/s1
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 1 -47.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122363
PNG
(US8729113, 111)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Br)cc1 |r,c:8|
Show InChI InChI=1S/C13H17BrN2O2/c1-2-11(7-10-8-17-13(15)16-10)18-12-5-3-9(14)4-6-12/h3-6,10-11H,2,7-8H2,1H3,(H2,15,16)/t10-,11-/m0/s1
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 1 -47.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122368
PNG
(US8729113, 116)
Show SMILES C[C@H](CC[C@H]1COC(N)=N1)c1ccc(F)cc1 |r,c:8|
Show InChI InChI=1S/C13H17FN2O/c1-9(10-3-5-11(14)6-4-10)2-7-12-8-17-13(15)16-12/h3-6,9,12H,2,7-8H2,1H3,(H2,15,16)/t9-,12+/m1/s1
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 1.10 -47.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122391
PNG
(US8729113, 158)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1Cl |r,c:8|
Show InChI InChI=1S/C13H16Cl2N2O2/c1-2-10(6-9-7-18-13(16)17-9)19-12-4-3-8(14)5-11(12)15/h3-5,9-10H,2,6-7H2,1H3,(H2,16,17)/t9-,10-/m0/s1
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 1.10 -47.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122304
PNG
(US8729113, 11)
Show SMILES NC1=N[C@@H](CCOc2ccc(F)cc2F)CO1 |r,t:1|
Show InChI InChI=1S/C11H12F2N2O2/c12-7-1-2-10(9(13)5-7)16-4-3-8-6-17-11(14)15-8/h1-2,5,8H,3-4,6H2,(H2,14,15)/t8-/m0/s1
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 1.10 -47.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122388
PNG
(US8729113, 153)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc2ccccc2c1 |r,c:8|
Show InChI InChI=1S/C17H20N2O2/c1-2-15(10-14-11-20-17(18)19-14)21-16-8-7-12-5-3-4-6-13(12)9-16/h3-9,14-15H,2,10-11H2,1H3,(H2,18,19)/t14-,15-/m0/s1
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 1.10 -47.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122302
PNG
(US8729113, 9)
Show SMILES NC1=N[C@@H](CCOc2ccc(F)c(F)c2)CO1 |r,t:1|
Show InChI InChI=1S/C11H12F2N2O2/c12-9-2-1-8(5-10(9)13)16-4-3-7-6-17-11(14)15-7/h1-2,5,7H,3-4,6H2,(H2,14,15)/t7-/m0/s1
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 1.20 -47.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122307
PNG
(US8729113, 17)
Show SMILES CC(CC[C@H]1COC(N)=N1)c1ccc(F)cc1 |r,c:8|
Show InChI InChI=1S/C13H17FN2O/c1-9(10-3-5-11(14)6-4-10)2-7-12-8-17-13(15)16-12/h3-6,9,12H,2,7-8H2,1H3,(H2,15,16)/t9?,12-/m0/s1
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 1.20 -47.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122364
PNG
(US8729113, 112)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(Cl)c1 |r,c:8|
Show InChI InChI=1S/C13H17ClN2O2/c1-2-11(7-10-8-17-13(15)16-10)18-12-5-3-4-9(14)6-12/h3-6,10-11H,2,7-8H2,1H3,(H2,15,16)/t10-,11-/m0/s1
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 1.20 -47.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122341
PNG
(US8729113, 68)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(Cl)c1 |r,c:7|
Show InChI InChI=1S/C12H15ClN2O2/c1-8(5-10-7-16-12(14)15-10)17-11-4-2-3-9(13)6-11/h2-4,6,8,10H,5,7H2,1H3,(H2,14,15)/t8-,10-/m0/s1
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 1.20 -47.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122317
PNG
(US8729113, 28)
Show SMILES CCC(CC[C@H]1COC(N)=N1)c1cccc(c1)C(F)(F)F |r,c:9|
Show InChI InChI=1S/C15H19F3N2O/c1-2-10(6-7-13-9-21-14(19)20-13)11-4-3-5-12(8-11)15(16,17)18/h3-5,8,10,13H,2,6-7,9H2,1H3,(H2,19,20)/t10?,13-/m0/s1
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 1.30 -47.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122383
PNG
(US8729113, 142)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2cc(F)cc(F)c2)CO1 |r,t:1|
Show InChI InChI=1S/C14H16F2N2O/c15-10-5-9(6-11(16)7-10)14(3-4-14)2-1-12-8-19-13(17)18-12/h5-7,12H,1-4,8H2,(H2,17,18)/t12-/m0/s1
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 1.30 -47.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122331
PNG
(US8729113, 54)
Show SMILES NC1=N[C@@H](CCOc2ccc(Cl)c(F)c2)CO1 |r,t:1|
Show InChI InChI=1S/C11H12ClFN2O2/c12-9-2-1-8(5-10(9)13)16-4-3-7-6-17-11(14)15-7/h1-2,5,7H,3-4,6H2,(H2,14,15)/t7-/m0/s1
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 1.40 -47.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122360
PNG
(US8729113, 108)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccc(F)c(F)c2)CO1 |r,t:1|
Show InChI InChI=1S/C14H16F2N2O/c15-11-2-1-9(7-12(11)16)14(5-6-14)4-3-10-8-19-13(17)18-10/h1-2,7,10H,3-6,8H2,(H2,17,18)/t10-/m0/s1
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 1.40 -47.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122371
PNG
(US8729113, 120)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(Cl)c1 |r,c:8|
Show InChI InChI=1S/C13H16ClFN2O2/c1-2-9(5-8-7-18-13(16)17-8)19-10-3-4-12(15)11(14)6-10/h3-4,6,8-9H,2,5,7H2,1H3,(H2,16,17)/t8-,9-/m0/s1
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 1.40 -47.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122395
PNG
(US8729113, 172)
Show SMILES NC1=N[C@@H](CCCCc2ccccc2)CO1 |r,t:1|
Show InChI InChI=1S/C13H18N2O/c14-13-15-12(10-16-13)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H2,14,15)/t12-/m0/s1
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 1.5 -46.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122361
PNG
(US8729113, 109)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccccc1 |r,c:8|
Show InChI InChI=1S/C13H18N2O2/c1-2-11(8-10-9-16-13(14)15-10)17-12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H2,14,15)/t10-,11-/m0/s1
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 1.60 -46.7n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122330
PNG
(US8729113, 48)
Show SMILES NC1=N[C@@H](CCOc2ccc(cc2)-c2ccc(F)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C17H17FN2O2/c18-14-5-1-12(2-6-14)13-3-7-16(8-4-13)21-10-9-15-11-22-17(19)20-15/h1-8,15H,9-11H2,(H2,19,20)/t15-/m0/s1
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 1.60 -46.7n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122294
PNG
(US8729113, 1)
Show SMILES NC1=N[C@@H](CCOc2ccccc2)CO1 |r,t:1|
Show InChI InChI=1S/C11H14N2O2/c12-11-13-9(8-15-11)6-7-14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H2,12,13)/t9-/m0/s1
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 1.70 -46.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122311
PNG
(US8729113, 21)
Show SMILES CC(C)c1cccc(OCC[C@H]2COC(N)=N2)c1 |r,c:15|
Show InChI InChI=1S/C14H20N2O2/c1-10(2)11-4-3-5-13(8-11)17-7-6-12-9-18-14(15)16-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H2,15,16)/t12-/m0/s1
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 1.70 -46.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122316
PNG
(US8729113, 27)
Show SMILES CCC(CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C14H19ClN2O/c1-2-10(11-3-6-12(15)7-4-11)5-8-13-9-18-14(16)17-13/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H2,16,17)/t10?,13-/m0/s1
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 1.70 -46.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122370
PNG
(US8729113, 119)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(F)c1 |r,c:8|
Show InChI InChI=1S/C13H16F2N2O2/c1-2-9(5-8-7-18-13(16)17-8)19-10-3-4-11(14)12(15)6-10/h3-4,6,8-9H,2,5,7H2,1H3,(H2,16,17)/t8-,9-/m0/s1
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 1.70 -46.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122321
PNG
(US8729113, 33)
Show SMILES NC1=N[C@@H](CCOc2cccc(c2)-c2ccccc2)CO1 |r,t:1|
Show InChI InChI=1S/C17H18N2O2/c18-17-19-15(12-21-17)9-10-20-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-8,11,15H,9-10,12H2,(H2,18,19)/t15-/m0/s1
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 1.80 -46.4n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122366
PNG
(US8729113, 114)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)cc1F |r,c:8|
Show InChI InChI=1S/C13H16F2N2O2/c1-2-10(6-9-7-18-13(16)17-9)19-12-4-3-8(14)5-11(12)15/h3-5,9-10H,2,6-7H2,1H3,(H2,16,17)/t9-,10-/m0/s1
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 1.90 -46.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122309
PNG
(US8729113, 19)
Show SMILES NC1=N[C@@H](CCOc2cccc(OC(F)(F)F)c2)CO1 |r,t:1|
Show InChI InChI=1S/C12H13F3N2O3/c13-12(14,15)20-10-3-1-2-9(6-10)18-5-4-8-7-19-11(16)17-8/h1-3,6,8H,4-5,7H2,(H2,16,17)/t8-/m0/s1
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 2.10 -46.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122346
PNG
(US8729113, 73)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1F |r,c:7|
Show InChI InChI=1S/C12H14ClFN2O2/c1-7(4-9-6-17-12(15)16-9)18-11-3-2-8(13)5-10(11)14/h2-3,5,7,9H,4,6H2,1H3,(H2,15,16)/t7-,9-/m0/s1
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 2.10 -46.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122303
PNG
(US8729113, 10)
Show SMILES NC1=N[C@@H](CCOc2ccc(F)cc2Cl)CO1 |r,t:1|
Show InChI InChI=1S/C11H12ClFN2O2/c12-9-5-7(13)1-2-10(9)16-4-3-8-6-17-11(14)15-8/h1-2,5,8H,3-4,6H2,(H2,14,15)/t8-/m0/s1
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 2.10 -46.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122393
PNG
(US8729113, 162)
Show SMILES NC1=N[C@@H](CCC(F)(F)c2ccc(F)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C12H13F3N2O/c13-9-3-1-8(2-4-9)12(14,15)6-5-10-7-18-11(16)17-10/h1-4,10H,5-7H2,(H2,16,17)/t10-/m0/s1
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 2.20 -45.9n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122345
PNG
(US8729113, 72)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(Cl)c1 |r,c:7|
Show InChI InChI=1S/C12H14ClFN2O2/c1-7(4-8-6-17-12(15)16-8)18-9-2-3-11(14)10(13)5-9/h2-3,5,7-8H,4,6H2,1H3,(H2,15,16)/t7-,8-/m0/s1
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 2.40 -45.7n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122344
PNG
(US8729113, 71)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Br)cc1 |r,c:7|
Show InChI InChI=1S/C12H15BrN2O2/c1-8(6-10-7-16-12(14)15-10)17-11-4-2-9(13)3-5-11/h2-5,8,10H,6-7H2,1H3,(H2,14,15)/t8-,10-/m0/s1
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 2.40 -45.7n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122336
PNG
(US8729113, 60)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccc(F)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C14H17FN2O/c15-11-3-1-10(2-4-11)14(7-8-14)6-5-12-9-18-13(16)17-12/h1-4,12H,5-9H2,(H2,16,17)/t12-/m0/s1
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 2.5 -45.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122310
PNG
(US8729113, 20)
Show SMILES COc1cccc(OCC[C@H]2COC(N)=N2)c1 |r,c:14|
Show InChI InChI=1S/C12H16N2O3/c1-15-10-3-2-4-11(7-10)16-6-5-9-8-17-12(13)14-9/h2-4,7,9H,5-6,8H2,1H3,(H2,13,14)/t9-/m0/s1
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 2.5 -45.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122332
PNG
(US8729113, 55)
Show SMILES NC1=N[C@@H](CCOc2ccc(Br)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C11H13BrN2O2/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,9H,5-7H2,(H2,13,14)/t9-/m0/s1
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 2.5 -45.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122308
PNG
(US8729113, 18)
Show SMILES CCC(CC[C@H]1COC(N)=N1)c1ccc(F)cc1 |r,c:9|
Show InChI InChI=1S/C14H19FN2O/c1-2-10(11-3-6-12(15)7-4-11)5-8-13-9-18-14(16)17-13/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H2,16,17)/t10?,13-/m0/s1
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 2.60 -45.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122295
PNG
(US8729113, 2)
Show SMILES NC1=N[C@@H](CCOc2ccc(F)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C11H13FN2O2/c12-8-1-3-10(4-2-8)15-6-5-9-7-16-11(13)14-9/h1-4,9H,5-7H2,(H2,13,14)/t9-/m0/s1
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 2.80 -45.4n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122325
PNG
(US8729113, 45)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1 |r,c:7|
Show InChI InChI=1S/C12H15ClN2O2/c1-8(6-10-7-16-12(14)15-10)17-11-4-2-9(13)3-5-11/h2-5,8,10H,6-7H2,1H3,(H2,14,15)/t8-,10-/m0/s1
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 2.80 -45.4n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122387
PNG
(US8729113, 152)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1cc(F)c(F)cc1F |r,c:8|
Show InChI InChI=1S/C13H15F3N2O2/c1-2-8(3-7-6-19-13(17)18-7)20-12-5-10(15)9(14)4-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H2,17,18)/t7-,8-/m0/s1
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 2.90 -45.3n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122314
PNG
(US8729113, 25)
Show SMILES CC(C)(CC[C@H]1COC(N)=N1)c1ccc(F)cc1 |r,c:9|
Show InChI InChI=1S/C14H19FN2O/c1-14(2,10-3-5-11(15)6-4-10)8-7-12-9-18-13(16)17-12/h3-6,12H,7-9H2,1-2H3,(H2,16,17)/t12-/m0/s1
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 3 -45.2n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122312
PNG
(US8729113, 23)
Show SMILES NC1=N[C@@H](CC2CC2c2ccccc2)CO1 |r,t:1|
Show InChI InChI=1S/C13H16N2O/c14-13-15-11(8-16-13)6-10-7-12(10)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H2,14,15)/t10?,11-,12?/m0/s1
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 3.10 -45.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122367
PNG
(US8729113, 115)
Show SMILES C[C@@H](CC[C@H]1COC(N)=N1)c1ccc(F)cc1 |r,c:8|
Show InChI InChI=1S/C13H17FN2O/c1-9(10-3-5-11(14)6-4-10)2-7-12-8-17-13(15)16-12/h3-6,9,12H,2,7-8H2,1H3,(H2,15,16)/t9-,12-/m0/s1
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 3.10 -45.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122389
PNG
(US8729113, 155)
Show SMILES C[C@H](OC[C@H]1COC(N)=N1)c1ccc(F)cc1 |r,c:8|
Show InChI InChI=1S/C12H15FN2O2/c1-8(9-2-4-10(13)5-3-9)16-6-11-7-17-12(14)15-11/h2-5,8,11H,6-7H2,1H3,(H2,14,15)/t8-,11-/m0/s1
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 3.20 -45.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122369
PNG
(US8729113, 117)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)cc1 |r,c:8|
Show InChI InChI=1S/C13H17FN2O2/c1-2-11(7-10-8-17-13(15)16-10)18-12-5-3-9(14)4-6-12/h3-6,10-11H,2,7-8H2,1H3,(H2,15,16)/t10-,11-/m0/s1
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 3.20 -45.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122300
PNG
(US8729113, 7)
Show SMILES CC(C)(CC[C@H]1COC(N)=N1)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C14H20N2O/c1-14(2,11-6-4-3-5-7-11)9-8-12-10-17-13(15)16-12/h3-7,12H,8-10H2,1-2H3,(H2,15,16)/t12-/m0/s1
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 3.20 -45.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122343
PNG
(US8729113, 70)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(F)c1 |r,c:7|
Show InChI InChI=1S/C12H14ClFN2O2/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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 3.60 -44.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122382
PNG
(US8729113, 141)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(O)c1 |r,c:8|
Show InChI InChI=1S/C13H18N2O3/c1-2-11(6-9-8-17-13(14)15-9)18-12-5-3-4-10(16)7-12/h3-5,7,9,11,16H,2,6,8H2,1H3,(H2,14,15)/t9-,11-/m0/s1
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 3.70 -44.7n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122365
PNG
(US8729113, 113)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)c(F)c1 |r,c:8|
Show InChI InChI=1S/C13H16ClFN2O2/c1-2-9(5-8-7-18-13(16)17-8)19-10-3-4-11(14)12(15)6-10/h3-4,6,8-9H,2,5,7H2,1H3,(H2,16,17)/t8-,9-/m0/s1
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 3.70 -44.7n/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
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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 3.80 -44.7n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122324
PNG
(US8729113, 36)
Show SMILES NC1=N[C@@H](CCOc2ccc(Oc3ccccc3)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C17H18N2O3/c18-17-19-13(12-21-17)10-11-20-14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h1-9,13H,10-12H2,(H2,18,19)/t13-/m0/s1
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 3.90 -44.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122347
PNG
(US8729113, 74)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)cc1F |r,c:7|
Show InChI InChI=1S/C12H14F2N2O2/c1-7(4-9-6-17-12(15)16-9)18-11-3-2-8(13)5-10(11)14/h2-3,5,7,9H,4,6H2,1H3,(H2,15,16)/t7-,9-/m0/s1
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 4 -44.6n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122299
PNG
(US8729113, 6)
Show SMILES NC1=N[C@@H](CCOc2ccccc2Cl)CO1 |r,t:1|
Show InChI InChI=1S/C11H13ClN2O2/c12-9-3-1-2-4-10(9)15-6-5-8-7-16-11(13)14-8/h1-4,8H,5-7H2,(H2,13,14)/t8-/m0/s1
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 4.10 -44.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122334
PNG
(US8729113, 58)
Show SMILES NC1=N[C@@H](CCOc2ccc(Cl)cc2F)CO1 |r,t:1|
Show InChI InChI=1S/C11H12ClFN2O2/c12-7-1-2-10(9(13)5-7)16-4-3-8-6-17-11(14)15-8/h1-2,5,8H,3-4,6H2,(H2,14,15)/t8-/m0/s1
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 4.10 -44.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122340
PNG
(US8729113, 67)
Show SMILES C[Si](C)(CC[C@H]1COC(N)=N1)c1ccc(Cl)cc1 |r,c:9|
Show InChI InChI=1S/C13H19ClN2OSi/c1-18(2,12-5-3-10(14)4-6-12)8-7-11-9-17-13(15)16-11/h3-6,11H,7-9H2,1-2H3,(H2,15,16)/t11-/m0/s1
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 4.60 -44.2n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122329
PNG
(US8729113, 47)
Show SMILES NC1=N[C@@H](CCOc2ccc(Cc3ccccc3)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C18H20N2O2/c19-18-20-16(13-22-18)10-11-21-17-8-6-15(7-9-17)12-14-4-2-1-3-5-14/h1-9,16H,10-13H2,(H2,19,20)/t16-/m0/s1
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 4.80 -44.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122354
PNG
(US8729113, 88)
Show SMILES NC1=N[C@@H](CCOc2ccc(cc2)C(F)(F)F)CO1 |r,t:1|
Show InChI InChI=1S/C12H13F3N2O2/c13-12(14,15)8-1-3-10(4-2-8)18-6-5-9-7-19-11(16)17-9/h1-4,9H,5-7H2,(H2,16,17)/t9-/m0/s1
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 4.80 -44.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122337
PNG
(US8729113, 61)
Show SMILES C[Si](C)(CC[C@H]1COC(N)=N1)c1cccc(Cl)c1 |r,c:9|
Show InChI InChI=1S/C13H19ClN2OSi/c1-18(2,12-5-3-4-10(14)8-12)7-6-11-9-17-13(15)16-11/h3-5,8,11H,6-7,9H2,1-2H3,(H2,15,16)/t11-/m0/s1
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 5.5 -43.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122306
PNG
(US8729113, 14)
Show SMILES CCC(CC[C@H]1COC(N)=N1)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C14H20N2O/c1-2-11(12-6-4-3-5-7-12)8-9-13-10-17-14(15)16-13/h3-7,11,13H,2,8-10H2,1H3,(H2,15,16)/t11?,13-/m0/s1
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 5.60 -43.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122355
PNG
(US8729113, 89)
Show SMILES NC1=N[C@@H](CCC2(CC2)c2ccc(F)cc2F)CO1 |r,t:1|
Show InChI InChI=1S/C14H16F2N2O/c15-9-1-2-11(12(16)7-9)14(5-6-14)4-3-10-8-19-13(17)18-10/h1-2,7,10H,3-6,8H2,(H2,17,18)/t10-/m0/s1
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 5.90 -43.7n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122353
PNG
(US8729113, 85)
Show SMILES C[C@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(Cl)c1 |r,c:7|
Show InChI InChI=1S/C12H14ClFN2O2/c1-7(4-8-6-17-12(15)16-8)18-9-2-3-11(14)10(13)5-9/h2-3,5,7-8H,4,6H2,1H3,(H2,15,16)/t7-,8+/m1/s1
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 5.90 -43.7n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122362
PNG
(US8729113, 110)
Show SMILES NC1=N[C@@H](CCC2(CCC2)c2ccc(Cl)cc2)CO1 |r,t:1|
Show InChI InChI=1S/C15H19ClN2O/c16-12-4-2-11(3-5-12)15(7-1-8-15)9-6-13-10-19-14(17)18-13/h2-5,13H,1,6-10H2,(H2,17,18)/t13-/m0/s1
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 5.90 -43.7n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122326
PNG
(US8729113, 96)
Show SMILES C[C@H](O)C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C13H25NO4/c1-9(15)7-10-8-17-13(5,6)14(10)11(16)18-12(2,3)4/h9-10,15H,7-8H2,1-6H3/t9-,10-/m0/s1
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 6.20 -43.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122358
PNG
(US8729113, 96)
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+/m1/s1
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 6.20 -43.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122392
PNG
(US8729113, 159)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc2ncccc2c1 |r,c:8|
Show InChI InChI=1S/C16H19N3O2/c1-2-13(9-12-10-20-16(17)19-12)21-14-5-6-15-11(8-14)4-3-7-18-15/h3-8,12-13H,2,9-10H2,1H3,(H2,17,19)/t12-,13-/m0/s1
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 6.30 -43.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122351
PNG
(US8729113, 81)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccccc1 |r,c:7|
Show InChI InChI=1S/C12H16N2O2/c1-9(7-10-8-15-12(13)14-10)16-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H2,13,14)/t9-,10-/m0/s1
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 6.40 -43.5n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122374
PNG
(US8729113, 123)
Show SMILES CC[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Cl)cc1F |r,c:8|
Show InChI InChI=1S/C13H16ClFN2O2/c1-2-10(6-9-7-18-13(16)17-9)19-12-4-3-8(14)5-11(12)15/h3-5,9-10H,2,6-7H2,1H3,(H2,16,17)/t9-,10-/m0/s1
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 6.5 -43.4n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122305
PNG
(US8729113, 13)
Show SMILES CC(CC[C@H]1COC(N)=N1)c1ccccc1 |r,c:8|
Show InChI InChI=1S/C13H18N2O/c1-10(11-5-3-2-4-6-11)7-8-12-9-16-13(14)15-12/h2-6,10,12H,7-9H2,1H3,(H2,14,15)/t10?,12-/m0/s1
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 7.30 -43.2n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122390
PNG
(US8729113, 156)
Show SMILES CC[C@H](OC[C@H]1COC(N)=N1)c1ccccc1 |r,c:9|
Show InChI InChI=1S/C13H18N2O2/c1-2-12(10-6-4-3-5-7-10)16-8-11-9-17-13(14)15-11/h3-7,11-12H,2,8-9H2,1H3,(H2,14,15)/t11-,12-/m0/s1
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 7.30 -43.2n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122339
PNG
(US8729113, 64)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)cc1 |r,c:7|
Show InChI InChI=1S/C12H15FN2O2/c1-8(6-10-7-16-12(14)15-10)17-11-4-2-9(13)3-5-11/h2-5,8,10H,6-7H2,1H3,(H2,14,15)/t8-,10-/m0/s1
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 7.60 -43.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122335
PNG
(US8729113, 59)
Show SMILES COc1ccc(OCC[C@H]2COC(N)=N2)cc1 |r,c:13|
Show InChI InChI=1S/C12H16N2O3/c1-15-10-2-4-11(5-3-10)16-7-6-9-8-17-12(13)14-9/h2-5,9H,6-8H2,1H3,(H2,13,14)/t9-/m0/s1
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 7.60 -43.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122352
PNG
(US8729113, 84)
Show SMILES C[C@H](C[C@H]1COC(N)=N1)Oc1cccc(Cl)c1 |r,c:7|
Show InChI InChI=1S/C12H15ClN2O2/c1-8(5-10-7-16-12(14)15-10)17-11-4-2-3-9(13)6-11/h2-4,6,8,10H,5,7H2,1H3,(H2,14,15)/t8-,10+/m1/s1
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 7.60 -43.1n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122356
PNG
(US8729113, 90)
Show SMILES CC(CCc1ccccc1)[C@H]1COC(N)=N1 |r,c:15|
Show InChI InChI=1S/C13H18N2O/c1-10(12-9-16-13(14)15-12)7-8-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H2,14,15)/t10?,12-/m1/s1
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 8 -43.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122342
PNG
(US8729113, 69)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(F)c(F)c1 |r,c:7|
Show InChI InChI=1S/C12H14F2N2O2/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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 8 -43.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122376
PNG
(US8729113, 127)
Show SMILES COC(=O)c1cccc(OCC[C@H]2COC(N)=N2)c1 |r,c:16|
Show InChI InChI=1S/C13H16N2O4/c1-17-12(16)9-3-2-4-11(7-9)18-6-5-10-8-19-13(14)15-10/h2-4,7,10H,5-6,8H2,1H3,(H2,14,15)/t10-/m0/s1
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 8 -43.0n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122313
PNG
(US8729113, 24)
Show SMILES CC(OC[C@H]1COC(N)=N1)c1ccccc1 |r,c:8|
Show InChI InChI=1S/C12H16N2O2/c1-9(10-5-3-2-4-6-10)15-7-11-8-16-12(13)14-11/h2-6,9,11H,7-8H2,1H3,(H2,13,14)/t9?,11-/m0/s1
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 8.40 -42.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122350
PNG
(US8729113, 79)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1ccc(Oc2ccccc2)cc1 |r,c:7|
Show InChI InChI=1S/C18H20N2O3/c1-13(11-14-12-21-18(19)20-14)22-16-7-9-17(10-8-16)23-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3,(H2,19,20)/t13-,14-/m0/s1
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 8.60 -42.8n/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
Trace amine-associated receptor 1


(Mus musculus (Mouse))		BDBM122349
PNG
(US8729113, 77)
Show SMILES C[C@@H](C[C@H]1COC(N)=N1)Oc1cccc(c1)C#N |r,c:7|
Show InChI InChI=1S/C13H15N3O2/c1-9(5-11-8-17-13(15)16-11)18-12-4-2-3-10(6-12)7-14/h2-4,6,9,11H,5,8H2,1H3,(H2,15,16)/t9-,11-/m0/s1
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 9.10 -42.7n/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
* indicates data uncertainty>20%