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Compile Data Set for Download or QSAR

Found 27 hits of ec50 data for polymerid = 50007304   
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 5


(Mus musculus)
BDBM50053629
PNG
(2-Chloro-Phenyl biguanide | CHEMBL42752 | N-(2-chl...)
Show SMILES NC(=N)N=C(N)Nc1ccccc1Cl
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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM18512
PNG
(5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |...)
Show SMILES CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
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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)

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
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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227830
PNG
(CHEMBL4099661)
Show SMILES NC(N)=N\C(N)=N\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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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227833
PNG
(CHEMBL4088381)
Show SMILES NC(N)=N\C(N)=N\c1ccc(cc1)[N+]([O-])=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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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227834
PNG
(CHEMBL4077681)
Show SMILES COc1ccc(cc1)\N=C(/N)N=C(N)N
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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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)

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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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227824
PNG
(CHEMBL4088689)
Show SMILES NC(N)=N\C(N)=N\Cc1cccc(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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227825
PNG
(CHEMBL4060464)
Show SMILES Cl.Cl.NC(N)=N\C(N)=N\Cc1ccc(Cl)cc1
Show InChI InChI=1S/C9H12ClN5.2ClH/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);2*1H
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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227835
PNG
(CHEMBL4096403)
Show SMILES NC(N)=N\C(N)=N\Cc1ccc(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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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227828
PNG
(CHEMBL4068661)
Show SMILES Cl.Cl.NC(N)=N\C(N)=N\Cc1cccc(Br)c1
Show InChI InChI=1S/C9H12BrN5.2ClH/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);2*1H
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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227836
PNG
(CHEMBL4076103)
Show SMILES Cl.Cl.COc1ccc(C\N=C(/N)N=C(N)N)cc1
Show InChI InChI=1S/C10H15N5O.2ClH/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);2*1H
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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227838
PNG
(CHEMBL4102503)
Show SMILES Cl.Cl.COc1ccc(C\N=C(/N)N=C(N)N)cc1OC
Show InChI InChI=1S/C11H17N5O2.2ClH/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);2*1H
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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227839
PNG
(CHEMBL4094764)
Show SMILES Cl.NC(N)=N\C(N)=N\C1CCCCCC1
Show InChI InChI=1S/C9H19N5.ClH/c10-8(11)14-9(12)13-7-5-3-1-2-4-6-7;/h7H,1-6H2,(H6,10,11,12,13,14);1H
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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)

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
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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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227841
PNG
(ABOB | MOROXYDINE | 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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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)

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
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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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)

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
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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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)

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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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)

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
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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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)

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
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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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)

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
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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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227975
PNG
(CHEMBL4087775)
Show SMILES NC(N)=N\C(N)=N\Cc1ccccc1Cl
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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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227826
PNG
(CHEMBL4069147)
Show SMILES NC(N)=N\C(N)=N\Cc1cccc(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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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)

More data for this
Ligand-Target Pair
Trace amine-associated receptor 5


(Mus musculus)
BDBM50227979
PNG
(CHEMBL4084561)
Show SMILES Cl.NC(N)=N\C(N)=N\C1CCCC1
Show InChI InChI=1S/C7H15N5.ClH/c8-6(9)12-7(10)11-5-3-1-2-4-5;/h5H,1-4H2,(H6,8,9,10,11,12);1H
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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)

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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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)

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
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)

More data for this
Ligand-Target Pair