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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'hart' and Initial = 'me'   
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
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50090505
PNG
((1R,2S,6R,7S)-2,6-Dimethyl-4,10-dioxa-tricyclo[5.2...)
Show SMILES C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O
Show InChI InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-
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n/an/a 430n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50366474
PNG
(NORCANTHARIDIN)
Show SMILES O=C1OC(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@H]12 |r,TLB:1:11:8.7:10,THB:3:5:8.7:10|
Show InChI InChI=1S/C8H8O4/c9-7-5-3-1-2-4(11-3)6(5)8(10)12-7/h3-6H,1-2H2/t3-,4-,5-,6+/m1/s1
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n/an/a 570n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143522
PNG
((1S,4R)-3-(3-Carboxy-phenylcarbamoyl)-7-oxa-bicycl...)
Show SMILES OC(=O)C1[C@H]2O[C@H](C=C2)C1C(=O)Nc1cccc(c1)C(O)=O |c:7|
Show InChI InChI=1S/C15H13NO6/c17-13(16-8-3-1-2-7(6-8)14(18)19)11-9-4-5-10(22-9)12(11)15(20)21/h1-6,9-12H,(H,16,17)(H,18,19)(H,20,21)/t9-,10+,11?,12?/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143517
PNG
((1S,4R)-3-(3-Methoxycarbonyl-phenylcarbamoyl)-7-ox...)
Show SMILES COC(=O)c1cccc(NC(=O)C2[C@H]3CC[C@H](O3)C2C(O)=O)c1
Show InChI InChI=1S/C16H17NO6/c1-22-16(21)8-3-2-4-9(7-8)17-14(18)12-10-5-6-11(23-10)13(12)15(19)20/h2-4,7,10-13H,5-6H2,1H3,(H,17,18)(H,19,20)/t10-,11+,12?,13?/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143509
PNG
((1S,4R)-3-Dimethylcarbamoyl-7-oxa-bicyclo[2.2.1]he...)
Show SMILES CN(C)C(=O)C1[C@@H]2O[C@@H](C=C2)C1C([O-])=O |c:9|
Show InChI InChI=1S/C10H13NO4/c1-11(2)9(12)7-5-3-4-6(15-5)8(7)10(13)14/h3-8H,1-2H3,(H,13,14)/p-1/t5-,6+,7?,8?/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143515
PNG
(Benzoic acid (1S,2R,6S,7R,8R)-3,5-dioxo-4,10-dioxa...)
Show SMILES O=C(OC[C@H]1C[C@@H]2O[C@H]1[C@@H]1[C@H]2C(=O)OC1=O)c1ccccc1
Show InChI InChI=1S/C16H14O6/c17-14(8-4-2-1-3-5-8)20-7-9-6-10-11-12(13(9)21-10)16(19)22-15(11)18/h1-5,9-13H,6-7H2/t9-,10+,11+,12+,13-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143516
PNG
((1S,4R)-3-(4-Ethoxycarbonyl-phenylcarbamoyl)-7-oxa...)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2[C@H]3CC[C@H](O3)C2C(O)=O)cc1
Show InChI InChI=1S/C17H19NO6/c1-2-23-17(22)9-3-5-10(6-4-9)18-15(19)13-11-7-8-12(24-11)14(13)16(20)21/h3-6,11-14H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t11-,12+,13?,14?/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143512
PNG
((1S,4R)-3-(4-Chloro-phenylcarbamoyl)-7-oxa-bicyclo...)
Show SMILES OC(=O)C1[C@H]2O[C@H](C=C2)C1C(=O)Nc1ccc(Cl)cc1 |c:7|
Show InChI InChI=1S/C14H12ClNO4/c15-7-1-3-8(4-2-7)16-13(17)11-9-5-6-10(20-9)12(11)14(18)19/h1-6,9-12H,(H,16,17)(H,18,19)/t9-,10+,11?,12?/m1/s1
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143514
PNG
((1S,4R)-3-(3-Methoxycarbonyl-phenylcarbamoyl)-7-ox...)
Show SMILES COC(=O)c1cccc(NC(=O)C2[C@@H]3O[C@@H](C=C3)C2C(O)=O)c1 |c:16|
Show InChI InChI=1S/C16H15NO6/c1-22-16(21)8-3-2-4-9(7-8)17-14(18)12-10-5-6-11(23-10)13(12)15(19)20/h2-7,10-13H,1H3,(H,17,18)(H,19,20)/t10-,11+,12?,13?/m1/s1
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n/an/a 6.00E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143520
PNG
((1S,4R)-3-(4-Ethoxycarbonyl-phenylcarbamoyl)-7-oxa...)
Show SMILES CCOC(=O)c1ccc(NC(=O)C2[C@@H]3O[C@@H](C=C3)C2C(O)=O)cc1 |c:16|
Show InChI InChI=1S/C17H17NO6/c1-2-23-17(22)9-3-5-10(6-4-9)18-15(19)13-11-7-8-12(24-11)14(13)16(20)21/h3-8,11-14H,2H2,1H3,(H,18,19)(H,20,21)/t11-,12+,13?,14?/m1/s1
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n/an/a 7.60E+4n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143510
PNG
((1S,4R)-3-(4-Chloro-phenylcarbamoyl)-7-oxa-bicyclo...)
Show SMILES COC(=O)C1[C@H]2O[C@H](C=C2)C1C(=O)Nc1ccc(Cl)cc1 |c:8|
Show InChI InChI=1S/C15H14ClNO4/c1-20-15(19)13-11-7-6-10(21-11)12(13)14(18)17-9-4-2-8(16)3-5-9/h2-7,10-13H,1H3,(H,17,18)/t10-,11+,12?,13?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143521
PNG
(CHEMBL368606 | N-((1S,2R,7R)-3,5-Dioxo-4,10-dioxa-...)
Show SMILES CC(=O)NC[C@@]12CC[C@@H](O1)C1[C@H]2C(=O)OC1=O
Show InChI InChI=1S/C11H13NO5/c1-5(13)12-4-11-3-2-6(17-11)7-8(11)10(15)16-9(7)14/h6-8H,2-4H2,1H3,(H,12,13)/t6-,7?,8+,11-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143511
PNG
((1S,4R)-7-Oxa-bicyclo[2.2.1]heptane-2,3-dicarboxyl...)
Show SMILES OC(=O)C1[C@@H]2CC[C@@H](O2)C1C(=O)OCc1ccccc1
Show InChI InChI=1S/C15H16O5/c16-14(17)12-10-6-7-11(20-10)13(12)15(18)19-8-9-4-2-1-3-5-9/h1-5,10-13H,6-8H2,(H,16,17)/t10-,11+,12?,13?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143513
PNG
((1S,4R)-3-Methylcarbamoyl-7-oxa-bicyclo[2.2.1]hept...)
Show SMILES CNC(=O)C1[C@@H]2O[C@@H](C=C2)C1C([O-])=O |c:8|
Show InChI InChI=1S/C9H11NO4/c1-10-8(11)6-4-2-3-5(14-4)7(6)9(12)13/h2-7H,1H3,(H,10,11)(H,12,13)/p-1/t4-,5+,6?,7?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143519
PNG
(CHEMBL368167 | N-((1S,2R,7R)-3,5-Dioxo-4,10-dioxa-...)
Show SMILES CC(=O)NC[C@]12O[C@H](C=C1)C1[C@H]2C(=O)OC1=O |c:8|
Show InChI InChI=1S/C11H11NO5/c1-5(13)12-4-11-3-2-6(17-11)7-8(11)10(15)16-9(7)14/h2-3,6-8H,4H2,1H3,(H,12,13)/t6-,7?,8+,11-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Protein phosphatase 1B


(Homo sapiens (Human))
BDBM50143518
PNG
(((1R,6R,7S)-3,5-Dioxo-4,10-dioxa-tricyclo[5.2.1.0*...)
Show SMILES O=C1OC(=O)C2[C@@H]1[C@H]1O[C@]2(CC#N)C=C1 |c:15|
Show InChI InChI=1S/C10H7NO4/c11-4-3-10-2-1-5(15-10)6-7(10)9(13)14-8(6)12/h1-2,5-7H,3H2/t5-,6-,7?,10-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California at Irvine

Curated by ChEMBL


Assay Description
Inhibitory activity against protein phosphatase-1 from rabbit skeletal muscle


Bioorg Med Chem Lett 14: 1969-73 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.093
BindingDB Entry DOI: 10.7270/Q25H7GTJ
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181792
PNG
(3-methyl-thyronamine | CHEMBL202457)
Show SMILES Cc1cc(CCN)ccc1Oc1ccc(O)cc1
Show InChI InChI=1S/C15H17NO2/c1-11-10-12(8-9-16)2-7-15(11)18-14-5-3-13(17)4-6-14/h2-7,10,17H,8-9,16H2,1H3
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n/an/an/an/a 33n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181793
PNG
(CHEMBL202548 | O-(m,m-dimethoxy)benzyl-tyramine)
Show SMILES COc1cc(COc2ccc(CCN)cc2)cc(OC)c1
Show InChI InChI=1S/C17H21NO3/c1-19-16-9-14(10-17(11-16)20-2)12-21-15-5-3-13(4-6-15)7-8-18/h3-6,9-11H,7-8,12,18H2,1-2H3
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n/an/an/an/a 333n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181794
PNG
(CHEMBL425223 | O-(p-trifluoromethyl)benzyl-3-iodot...)
Show SMILES NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)c(I)c1
Show InChI InChI=1S/C16H15F3INO/c17-16(18,19)13-4-1-12(2-5-13)10-22-15-6-3-11(7-8-21)9-14(15)20/h1-6,9H,7-8,10,21H2
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n/an/an/an/a 284n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181797
PNG
(CHEMBL201896 | thyronamine)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H15NO2/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14/h1-8,16H,9-10,15H2
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n/an/an/an/a 131n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181797
PNG
(CHEMBL201896 | thyronamine)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C14H15NO2/c15-10-9-11-1-5-13(6-2-11)17-14-7-3-12(16)4-8-14/h1-8,16H,9-10,15H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181798
PNG
(CHEMBL202335 | N-methyl-O-(p-trifluoromethyl)benzy...)
Show SMILES CNCCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C17H18F3NO/c1-21-11-10-13-4-8-16(9-5-13)22-12-14-2-6-15(7-3-14)17(18,19)20/h2-9,21H,10-12H2,1H3
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n/an/an/an/a 61n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181795
PNG
(CHEMBL200088 | O-benzyl-tyramine)
Show SMILES NCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C15H17NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10-12,16H2
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n/an/an/an/a 209n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181796
PNG
(3,5-Diiodothyronamine | CHEMBL201922)
Show SMILES NCCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H13I2NO2/c15-12-7-9(5-6-17)8-13(16)14(12)19-11-3-1-10(18)2-4-11/h1-4,7-8,18H,5-6,17H2
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n/an/an/an/a 56n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181799
PNG
(CHEMBL201892 | O-benzyl-3-iodotyramine)
Show SMILES NCCc1ccc(OCc2ccccc2)c(I)c1
Show InChI InChI=1S/C15H16INO/c16-14-10-12(8-9-17)6-7-15(14)18-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
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n/an/an/an/a 221n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181800
PNG
(CHEMBL201047 | N,N-dimethyl-O-benzyl-tyramine)
Show SMILES CN(C)CCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-12-15-8-10-17(11-9-15)19-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181796
PNG
(3,5-Diiodothyronamine | CHEMBL201922)
Show SMILES NCCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H13I2NO2/c15-12-7-9(5-6-17)8-13(16)14(12)19-11-3-1-10(18)2-4-11/h1-4,7-8,18H,5-6,17H2
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n/an/an/an/a 371n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181801
PNG
(3'-iodothyronamine | CHEMBL201002)
Show SMILES NCCc1ccc(Oc2ccc(O)c(I)c2)cc1
Show InChI InChI=1S/C14H14INO2/c15-13-9-12(5-6-14(13)17)18-11-3-1-10(2-4-11)7-8-16/h1-6,9,17H,7-8,16H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181799
PNG
(CHEMBL201892 | O-benzyl-3-iodotyramine)
Show SMILES NCCc1ccc(OCc2ccccc2)c(I)c1
Show InChI InChI=1S/C15H16INO/c16-14-10-12(8-9-17)6-7-15(14)18-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11,17H2
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n/an/an/an/a 77n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181803
PNG
(3,3',5,5'-tetraiodothyronamine | CHEMBL201623)
Show SMILES NCCc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H11I4NO2/c15-9-5-8(6-10(16)13(9)20)21-14-11(17)3-7(1-2-19)4-12(14)18/h3-6,20H,1-2,19H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181802
PNG
(CHEMBL202024 | N-methyl-3-iodothyronamine)
Show SMILES CNCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C15H16INO2/c1-17-9-8-11-2-7-15(14(16)10-11)19-13-5-3-12(18)4-6-13/h2-7,10,17-18H,8-9H2,1H3
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n/an/an/an/a 18n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181805
PNG
(3',5'-diiodothyronamine | CHEMBL201001)
Show SMILES NCCc1ccc(Oc2cc(I)c(O)c(I)c2)cc1
Show InChI InChI=1S/C14H13I2NO2/c15-12-7-11(8-13(16)14(12)18)19-10-3-1-9(2-4-10)5-6-17/h1-4,7-8,18H,5-6,17H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181806
PNG
(CHEMBL202395 | N,O-dimethyl-3-iodothyronamine)
Show SMILES CNCCc1ccc(Oc2ccc(OC)cc2)c(I)c1
Show InChI InChI=1S/C16H18INO2/c1-18-10-9-12-3-8-16(15(17)11-12)20-14-6-4-13(19-2)5-7-14/h3-8,11,18H,9-10H2,1-2H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181804
PNG
(CHEMBL425579 | N,O-dibenzyl-tyramine)
Show SMILES C(Cc1ccc(OCc2ccccc2)cc1)NCc1ccccc1
Show InChI InChI=1S/C22H23NO/c1-3-7-20(8-4-1)17-23-16-15-19-11-13-22(14-12-19)24-18-21-9-5-2-6-10-21/h1-14,23H,15-18H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181807
PNG
(CHEMBL202172 | O-(2',3',4',5',6'-pentafluoro)benzy...)
Show SMILES NCCc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C15H12F5NO/c16-11-10(12(17)14(19)15(20)13(11)18)7-22-9-3-1-8(2-4-9)5-6-21/h1-4H,5-7,21H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181808
PNG
(CHEMBL202099 | O-(4'-phenyl)butyl-tyramine)
Show SMILES NCCc1ccc(OCCCCc2ccccc2)cc1
Show InChI InChI=1S/C18H23NO/c19-14-13-17-9-11-18(12-10-17)20-15-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8,13-15,19H2
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n/an/an/an/a 80n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181794
PNG
(CHEMBL425223 | O-(p-trifluoromethyl)benzyl-3-iodot...)
Show SMILES NCCc1ccc(OCc2ccc(cc2)C(F)(F)F)c(I)c1
Show InChI InChI=1S/C16H15F3INO/c17-16(18,19)13-4-1-12(2-5-13)10-22-15-6-3-11(7-8-21)9-14(15)20/h1-6,9H,7-8,10,21H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181809
PNG
(CHEMBL202279 | N-methyl-O-benzyl-tyramine)
Show SMILES CNCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H19NO/c1-17-12-11-14-7-9-16(10-8-14)18-13-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
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n/an/an/an/a 54n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181810
PNG
(CHEMBL202183 | O-(m-methoxy)benzyl-tyramine)
Show SMILES COc1cccc(COc2ccc(CCN)cc2)c1
Show InChI InChI=1S/C16H19NO2/c1-18-16-4-2-3-14(11-16)12-19-15-7-5-13(6-8-15)9-10-17/h2-8,11H,9-10,12,17H2,1H3
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n/an/an/an/a 141n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181792
PNG
(3-methyl-thyronamine | CHEMBL202457)
Show SMILES Cc1cc(CCN)ccc1Oc1ccc(O)cc1
Show InChI InChI=1S/C15H17NO2/c1-11-10-12(8-9-16)2-7-15(11)18-14-5-3-13(17)4-6-14/h2-7,10,17H,8-9,16H2,1H3
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n/an/an/an/a 116n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181815
PNG
(2-[3-iodo-4-(p-hydroxy)phenoxyphenyl]ethanol | CHE...)
Show SMILES OCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H13IO3/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,16-17H,7-8H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181814
PNG
(CHEMBL201993 | O-(p-nitro)benzyl-tyramine)
Show SMILES NCCc1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H16N2O3/c16-10-9-12-3-7-15(8-4-12)20-11-13-1-5-14(6-2-13)17(18)19/h1-8H,9-11,16H2
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n/an/an/an/a 21.5n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181811
PNG
(CHEMBL381288 | O-(3'-phenyl)propyl-tyramine)
Show SMILES NCCc1ccc(OCCCc2ccccc2)cc1
Show InChI InChI=1S/C17H21NO/c18-13-12-16-8-10-17(11-9-16)19-14-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14,18H2
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n/an/an/an/a 102n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181812
PNG
(CHEMBL382580 | O-(p-fluoro)phenyl-3-iodotyramine)
Show SMILES CNCCc1ccc(Oc2ccc(F)cc2)c(I)c1
Show InChI InChI=1S/C15H15FINO/c1-18-9-8-11-2-7-15(14(17)10-11)19-13-5-3-12(16)4-6-13/h2-7,10,18H,8-9H2,1H3
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n/an/an/an/a 2.70n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181813
PNG
(CHEMBL201864 | O-(p-fluoro)benzyl-tyramine)
Show SMILES NCCc1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C15H16FNO/c16-14-5-1-13(2-6-14)11-18-15-7-3-12(4-8-15)9-10-17/h1-8H,9-11,17H2
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n/an/an/an/a 72n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181816
PNG
(3,3',5-triiodothyronamine | CHEMBL201885)
Show SMILES NCCc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H12I3NO2/c15-10-7-9(1-2-13(10)19)20-14-11(16)5-8(3-4-18)6-12(14)17/h1-2,5-7,19H,3-4,18H2
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n/an/an/an/a 87n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181817
PNG
(3,3',5'-triiodothyronamine | CHEMBL381531)
Show SMILES NCCc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1
Show InChI InChI=1S/C14H12I3NO2/c15-10-5-8(3-4-18)1-2-13(10)20-9-6-11(16)14(19)12(17)7-9/h1-2,5-7,19H,3-4,18H2
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181802
PNG
(CHEMBL202024 | N-methyl-3-iodothyronamine)
Show SMILES CNCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C15H16INO2/c1-17-9-8-11-2-7-15(14(16)10-11)19-13-5-3-12(18)4-6-13/h2-7,10,17-18H,8-9H2,1H3
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n/an/an/an/a 221n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Rattus norvegicus (Rat))
BDBM50181819
PNG
(CHEMBL371324 | N-propyl-O-benzyl-tyramine)
Show SMILES CCCNCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H23NO/c1-2-13-19-14-12-16-8-10-18(11-9-16)20-15-17-6-4-3-5-7-17/h3-11,19H,2,12-15H2,1H3
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n/an/an/an/a>1.00E+3n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at rat TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50181818
PNG
(CHEMBL202209 | O-(phenylmethanone)methyl-tyramine)
Show SMILES NCCc1ccc(OCC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C16H17NO2/c17-11-10-13-6-8-15(9-7-13)19-12-16(18)14-4-2-1-3-5-14/h1-9H,10-12,17H2
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n/an/an/an/a 83n/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Activity at mouse TAAR1 by measuring cAMP accumulation in HEK293 cells


J Med Chem 49: 1101-12 (2006)


Article DOI: 10.1021/jm0505718
BindingDB Entry DOI: 10.7270/Q2416WNR
More data for this
Ligand-Target Pair
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