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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'espinoza' and Initial = 's'   
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))
BDBM10758
PNG
(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
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n/an/an/an/a 138n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...


J Med Chem 58: 5096-107 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00526
BindingDB Entry DOI: 10.7270/Q2PC3446
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50359505
PNG
(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
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n/an/an/an/a 189n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...


J Med Chem 58: 5096-107 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00526
BindingDB Entry DOI: 10.7270/Q2PC3446
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50096963
PNG
(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
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n/an/an/an/a 240n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...


J Med Chem 58: 5096-107 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00526
BindingDB Entry DOI: 10.7270/Q2PC3446
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50096964
PNG
(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
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n/an/an/an/a 1.70E+3n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...


J Med Chem 58: 5096-107 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00526
BindingDB Entry DOI: 10.7270/Q2PC3446
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50096965
PNG
(CHEMBL3580905)
Show SMILES NCCc1ccc(Cc2ccc(N)cc2)cc1
Show InChI InChI=1S/C15H18N2/c16-10-9-12-1-3-13(4-2-12)11-14-5-7-15(17)8-6-14/h1-8H,9-11,16-17H2
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n/an/an/an/a 800n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...


J Med Chem 58: 5096-107 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00526
BindingDB Entry DOI: 10.7270/Q2PC3446
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50096966
PNG
(CHEMBL3580906)
Show SMILES NCCOc1ccc(Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C15H17NO2/c16-9-10-18-15-7-3-13(4-8-15)11-12-1-5-14(17)6-2-12/h1-8,17H,9-11,16H2
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n/an/an/an/a 2.20E+3n/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells coexpressing cAMP BRET biosensor assessed as induction of CAMP production after 20 mins by ...


J Med Chem 58: 5096-107 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00526
BindingDB Entry DOI: 10.7270/Q2PC3446
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50359505
PNG
(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
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n/an/an/an/a 1.69E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal HA-tagged/C-terminal FLAG-tagged TAAR1 expressed in CHOK1 cells assessed as increase in cAMP a...


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50053630
PNG
(4-Methyl-Phenyl biguanide | CHEMBL291064 | N-(4-me...)
Show SMILES Cc1ccc(NC(N)=NC(N)=N)cc1 |w:8.8|
Show InChI InChI=1S/C9H13N5/c1-6-2-4-7(5-3-6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50227351
PNG
(CHEMBL3628706)
Show SMILES NC(=N)NC(=N)NCc1ccccc1
Show InChI InChI=1S/C9H13N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50227824
PNG
(CHEMBL4088689)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a 7.00E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50227825
PNG
(CHEMBL4060464)
Show SMILES Cl.Cl.[#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccc(Cl)cc1
Show InChI InChI=1S/C9H12ClN5/c10-7-3-1-6(2-4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50227826
PNG
(CHEMBL4069147)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1cccc(F)c1
Show InChI InChI=1S/C9H12FN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a 1.60E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50227828
PNG
(CHEMBL4068661)
Show SMILES Cl.Cl.[#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1cccc(Br)c1
Show InChI InChI=1S/C9H12BrN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a 4.90E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50227829
PNG
(CHEBI:8455 | CHLOROGUANIDE | Proguanil)
Show SMILES CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50053615
PNG
(3-Chloro-Phenyl biguanide | CHEMBL13790 | N-(3-chl...)
Show SMILES NC(=N)N=C(N)Nc1cccc(Cl)c1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50100977
PNG
(3,4-dichloro-phenylbiguanide | CHEMBL41433 | N-(3,...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)c(Cl)c1 |w:3.2|
Show InChI InChI=1S/C8H9Cl2N5/c9-5-2-1-4(3-6(5)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227830
PNG
(CHEMBL4099661)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\c1cccc(F)c1
Show InChI InChI=1S/C8H10FN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227833
PNG
(CHEMBL4088381)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\c1ccc(cc1)-[#7+](-[#8-])=O
Show InChI InChI=1S/C8H10N6O2/c9-7(10)13-8(11)12-5-1-3-6(4-2-5)14(15)16/h1-4H,(H6,9,10,11,12,13)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227834
PNG
(CHEMBL4077681)
Show SMILES [#6]-[#8]-c1ccc(cc1)\[#7]=[#6](/[#7])\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C9H13N5O/c1-15-7-4-2-6(3-5-7)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227351
PNG
(CHEMBL3628706)
Show SMILES NC(=N)NC(=N)NCc1ccccc1
Show InChI InChI=1S/C9H13N5/c10-8(11)14-9(12)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227824
PNG
(CHEMBL4088689)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227825
PNG
(CHEMBL4060464)
Show SMILES Cl.Cl.[#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccc(Cl)cc1
Show InChI InChI=1S/C9H12ClN5/c10-7-3-1-6(2-4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227835
PNG
(CHEMBL4096403)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H11Cl2N5/c10-6-2-1-5(3-7(6)11)4-15-9(14)16-8(12)13/h1-3H,4H2,(H6,12,13,14,15,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227828
PNG
(CHEMBL4068661)
Show SMILES Cl.Cl.[#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1cccc(Br)c1
Show InChI InChI=1S/C9H12BrN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227836
PNG
(CHEMBL4076103)
Show SMILES Cl.Cl.[#6]-[#8]-c1ccc(-[#6]\[#7]=[#6](/[#7])\[#7]=[#6](\[#7])-[#7])cc1
Show InChI InChI=1S/C10H15N5O/c1-16-8-4-2-7(3-5-8)6-14-10(13)15-9(11)12/h2-5H,6H2,1H3,(H6,11,12,13,14,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227838
PNG
(CHEMBL4102503)
Show SMILES Cl.Cl.[#6]-[#8]-c1ccc(-[#6]\[#7]=[#6](/[#7])\[#7]=[#6](\[#7])-[#7])cc1-[#8]-[#6]
Show InChI InChI=1S/C11H17N5O2/c1-17-8-4-3-7(5-9(8)18-2)6-15-11(14)16-10(12)13/h3-5H,6H2,1-2H3,(H6,12,13,14,15,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227839
PNG
(CHEMBL4094764)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]1
Show InChI InChI=1S/C9H19N5/c10-8(11)14-9(12)13-7-5-3-1-2-4-6-7/h7H,1-6H2,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227840
PNG
(CHEMBL2079013)
Show SMILES NC(=N)NC(=N)NC12CC3CC(CC(C3)C1)C2 |TLB:6:7:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13|
Show InChI InChI=1S/C12H21N5/c13-10(14)16-11(15)17-12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H6,13,14,15,16,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227841
PNG
(ABOB | Moroxydine | SKF-8898A)
Show SMILES NC(=N)\N=C(/N)N1CCOCC1
Show InChI InChI=1S/C6H13N5O/c7-5(8)10-6(9)11-1-3-12-4-2-11/h1-4H2,(H5,7,8,9,10)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM18792
PNG
(1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-...)
Show SMILES CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 |t:3,6|
Show InChI InChI=1S/C11H14ClN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-7(12)4-6-8/h3-6H,1-2H3,(H4,13,14,15,16)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50378363
PNG
(CHEMBL574656)
Show SMILES NC1=NC2(CCCCC2)N(C(N)=N1)c1ccc(Cl)cc1 |c:12,t:1|
Show InChI InChI=1S/C14H18ClN5/c15-10-4-6-11(7-5-10)20-13(17)18-12(16)19-14(20)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H4,16,17,18,19)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM18069
PNG
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a 410n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a 2.10E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50053630
PNG
(4-Methyl-Phenyl biguanide | CHEMBL291064 | N-(4-me...)
Show SMILES Cc1ccc(NC(N)=NC(N)=N)cc1 |w:8.8|
Show InChI InChI=1S/C9H13N5/c1-6-2-4-7(5-3-6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
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n/an/an/an/a 1.70E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50227975
PNG
(CHEMBL4087775)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccccc1Cl
Show InChI InChI=1S/C9H12ClN5/c10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a 410n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50227824
PNG
(CHEMBL4088689)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a 97n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50227835
PNG
(CHEMBL4096403)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H11Cl2N5/c10-6-2-1-5(3-7(6)11)4-15-9(14)16-8(12)13/h1-3H,4H2,(H6,12,13,14,15,16)
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n/an/an/an/a 36n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50227826
PNG
(CHEMBL4069147)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1cccc(F)c1
Show InChI InChI=1S/C9H12FN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a 540n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Mus musculus (Mouse))
BDBM50227828
PNG
(CHEMBL4068661)
Show SMILES Cl.Cl.[#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1cccc(Br)c1
Show InChI InChI=1S/C9H12BrN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50227835
PNG
(CHEMBL4096403)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H11Cl2N5/c10-6-2-1-5(3-7(6)11)4-15-9(14)16-8(12)13/h1-3H,4H2,(H6,12,13,14,15,16)
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at human TAAR1 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50053596
PNG
(1-phenylbiguanide | CHEMBL13791 | N-phenylimidodic...)
Show SMILES NC(=N)NC(N)=Nc1ccccc1 |w:6.6|
Show InChI InChI=1S/C8H11N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h1-5H,(H6,9,10,11,12,13)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50053595
PNG
(4-Chloro-Phenyl biguanide | 4-Chlorophenylbiguanid...)
Show SMILES NC(=N)N=C(N)Nc1ccc(Cl)cc1 |w:3.2|
Show InChI InChI=1S/C8H10ClN5/c9-5-1-3-6(4-2-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50053630
PNG
(4-Methyl-Phenyl biguanide | CHEMBL291064 | N-(4-me...)
Show SMILES Cc1ccc(NC(N)=NC(N)=N)cc1 |w:8.8|
Show InChI InChI=1S/C9H13N5/c1-6-2-4-7(5-3-6)13-9(12)14-8(10)11/h2-5H,1H3,(H6,10,11,12,13,14)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227975
PNG
(CHEMBL4087775)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1ccccc1Cl
Show InChI InChI=1S/C9H12ClN5/c10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227826
PNG
(CHEMBL4069147)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-c1cccc(F)c1
Show InChI InChI=1S/C9H12FN5/c10-7-3-1-2-6(4-7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227979
PNG
(CHEMBL4084561)
Show SMILES Cl.[#7]\[#6](-[#7])=[#7]\[#6](\[#7])=[#7]\[#6]-1-[#6]-[#6]-[#6]-[#6]1
Show InChI InChI=1S/C7H15N5/c8-6(9)12-7(10)11-5-3-1-2-4-5/h5H,1-4H2,(H6,8,9,10,11,12)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227829
PNG
(CHEBI:8455 | CHLOROGUANIDE | Proguanil)
Show SMILES CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C11H16ClN5/c1-7(2)15-10(13)17-11(14)16-9-5-3-8(12)4-6-9/h3-7H,1-2H3,(H5,13,14,15,16,17)
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Agonist activity at mouse TAAR5 expressed in HEK293 cells assessed as cAMP accumulation after 20 mins by BRET assay


Eur J Med Chem 127: 781-792 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.058
BindingDB Entry DOI: 10.7270/Q2C24ZPS
More data for this
Ligand-Target Pair
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