Compile Data Set for Download or QSAR
Found 20 Enz. Inhib. hit(s) with all data for entry = 50012596
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM10758(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
Affinity DataEC50:  138nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50359505(CHEMBL1182312)
Show SMILES NCCc1ccc(Oc2ccc(O)cc2)c(I)c1
Show InChI InChI=1S/C14H14INO2/c15-13-9-10(7-8-16)1-6-14(13)18-12-4-2-11(17)3-5-12/h1-6,9,17H,7-8,16H2
Affinity DataEC50:  189nMAssay Description:Agonist activity at mouse TAAR1More data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558641(CHEMBL4741294)
Show SMILES CC(=O)Nc1ccc(Cc2ccc(OCCNC(=N)NC(N)=N)cc2C)cc1
Show InChI InChI=1S/C20H26N6O2/c1-13-11-18(28-10-9-24-20(23)26-19(21)22)8-5-16(13)12-15-3-6-17(7-4-15)25-14(2)27/h3-8,11H,9-10,12H2,1-2H3,(H,25,27)(H6,21,22,23,24,26)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558642(CHEMBL4741475)
Show SMILES CC(=O)NCCOc1ccc(Cc2ccc(NC(C)=O)cc2)c(C)c1
Show InChI InChI=1S/C20H24N2O3/c1-14-12-20(25-11-10-21-15(2)23)9-6-18(14)13-17-4-7-19(8-5-17)22-16(3)24/h4-9,12H,10-11,13H2,1-3H3,(H,21,23)(H,22,24)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558643(CHEMBL4793672)
Show SMILES CC(=O)Nc1ccc(Cc2ccc(OCCN)cc2C)cc1
Show InChI InChI=1S/C18H22N2O2/c1-13-11-18(22-10-9-19)8-5-16(13)12-15-3-6-17(7-4-15)20-14(2)21/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558644(CHEMBL4781549)
Show SMILES CC(=O)NCCOc1ccc(Cc2ccc(NC(C)=O)cc2)cc1
Show InChI InChI=1S/C19H22N2O3/c1-14(22)20-11-12-24-19-9-5-17(6-10-19)13-16-3-7-18(8-4-16)21-15(2)23/h3-10H,11-13H2,1-2H3,(H,20,22)(H,21,23)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558645(CHEMBL4764889)
Show SMILES CC(=O)Nc1ccc(Cc2ccc(OCCN)cc2)cc1
Show InChI InChI=1S/C17H20N2O2/c1-13(20)19-16-6-2-14(3-7-16)12-15-4-8-17(9-5-15)21-11-10-18/h2-9H,10-12,18H2,1H3,(H,19,20)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558646(CHEMBL4797425)
Show SMILES CCN(C(C)=O)c1ccc(Cc2ccc(CCNC(C)=O)cc2C)cc1C(C)C
Show InChI InChI=1S/C25H34N2O2/c1-7-27(20(6)29)25-11-9-22(16-24(25)17(2)3)15-23-10-8-21(14-18(23)4)12-13-26-19(5)28/h8-11,14,16-17H,7,12-13,15H2,1-6H3,(H,26,28)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558647(CHEMBL4794080)
Show SMILES CCN(C(C)=O)c1ccc(Cc2ccc(CCN)cc2C)cc1C(C)C
Show InChI InChI=1S/C23H32N2O/c1-6-25(18(5)26)23-10-8-20(15-22(23)16(2)3)14-21-9-7-19(11-12-24)13-17(21)4/h7-10,13,15-16H,6,11-12,14,24H2,1-5H3
Affinity DataEC50:  440nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558648(CHEMBL4778177)
Show SMILES CCNc1ccc(Cc2ccc(CCN)cc2C)cc1C(C)C
Show InChI InChI=1S/C21H30N2/c1-5-23-21-9-7-18(14-20(21)15(2)3)13-19-8-6-17(10-11-22)12-16(19)4/h6-9,12,14-15,23H,5,10-11,13,22H2,1-4H3
Affinity DataEC50:  102nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558649(CHEMBL4778053)
Show SMILES Cc1cc(OCCN)cc(C)c1Cc1ccc(N)cc1
Show InChI InChI=1S/C17H22N2O/c1-12-9-16(20-8-7-18)10-13(2)17(12)11-14-3-5-15(19)6-4-14/h3-6,9-10H,7-8,11,18-19H2,1-2H3
Affinity DataEC50:  134nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558650(CHEMBL4800489)
Show SMILES Cc1cc(CCN)cc(C)c1-c1ccc(N)cc1
Show InChI InChI=1S/C16H20N2/c1-11-9-13(7-8-17)10-12(2)16(11)14-3-5-15(18)6-4-14/h3-6,9-10H,7-8,17-18H2,1-2H3
Affinity DataEC50:  633nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558651(CHEMBL4744061)
Show SMILES Cc1cc(CCN)ccc1-c1ccc(N)cc1
Show InChI InChI=1S/C15H18N2/c1-11-10-12(8-9-16)2-7-15(11)13-3-5-14(17)6-4-13/h2-7,10H,8-9,16-17H2,1H3
Affinity DataEC50:  1.18E+3nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558652(CHEMBL4761622)
Show SMILES Cc1cc(CCN)cc(C)c1Cc1ccc(N)cc1
Show InChI InChI=1S/C17H22N2/c1-12-9-15(7-8-18)10-13(2)17(12)11-14-3-5-16(19)6-4-14/h3-6,9-10H,7-8,11,18-19H2,1-2H3
Affinity DataEC50:  158nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558653(CHEMBL4787435)
Show SMILES CC(=O)Nc1ccc(Cc2ccc(CCN)cc2C)cc1
Show InChI InChI=1S/C18H22N2O/c1-13-11-16(9-10-19)3-6-17(13)12-15-4-7-18(8-5-15)20-14(2)21/h3-8,11H,9-10,12,19H2,1-2H3,(H,20,21)
Affinity DataEC50:  3.10E+3nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558654(CHEMBL4797972)
Show SMILES Cc1cc(CCN)ccc1Cc1ccc(O)cc1
Show InChI InChI=1S/C16H19NO/c1-12-10-14(8-9-17)2-5-15(12)11-13-3-6-16(18)7-4-13/h2-7,10,18H,8-9,11,17H2,1H3
Affinity DataEC50:  98nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558655(CHEMBL4781319)
Show SMILES Cc1cc(CCN)ccc1Cc1ccc(N)cc1
Show InChI InChI=1S/C16H20N2/c1-12-10-14(8-9-17)2-5-15(12)11-13-3-6-16(18)7-4-13/h2-7,10H,8-9,11,17-18H2,1H3
Affinity DataEC50:  119nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50096963(CHEMBL3580902)
Show SMILES Cc1cc(OCCN)ccc1Cc1ccc(N)cc1
Show InChI InChI=1S/C16H20N2O/c1-12-10-16(19-9-8-17)7-4-14(12)11-13-2-5-15(18)6-3-13/h2-7,10H,8-9,11,17-18H2,1H3
Affinity DataEC50:  240nMAssay Description:Agonist activity at mouse TAAR1More data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50096964(CHEMBL3580901)
Show SMILES NCCOc1ccc(Cc2ccc(N)cc2)cc1
Show InChI InChI=1S/C15H18N2O/c16-9-10-18-15-7-3-13(4-8-15)11-12-1-5-14(17)6-2-12/h1-8H,9-11,16-17H2
Affinity DataEC50:  1.70E+3nMAssay Description:Agonist activity at mouse TAAR1More data for this Ligand-Target Pair
TargetTrace amine-associated receptor 1(Mus musculus (Mouse))
University of Pisa

Curated by ChEMBL
LigandPNGBDBM50558640(CHEMBL4763482)
Show SMILES Cc1cc(OCCNC(=N)NC(N)=N)ccc1Cc1ccc(N)cc1
Show InChI InChI=1S/C18H24N6O/c1-12-10-16(25-9-8-23-18(22)24-17(20)21)7-4-14(12)11-13-2-5-15(19)6-3-13/h2-7,10H,8-9,11,19H2,1H3,(H6,20,21,22,23,24)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at mouse TAAR1 expressed in HEK293T cells assessed as induction of cAMP production by BRET assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid