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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'heffernan' and Initial = 'ml'   
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
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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1.70n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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3.5n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260722
PNG
(4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...)
Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)
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7.20n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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13n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433371
PNG
(CHEMBL2375519)
Show SMILES OC(=O)c1cc2occ(CCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C15H13NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,17,18)
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190n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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2.00E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO by Michaelis-Menten plot analysis in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Sus scrofa (pig))
BDBM50004955
PNG
(1H-Indole-2-carboxylic acid | CHEMBL278390 | Indol...)
Show SMILES OC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
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3.40E+3n/an/an/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of pig kidney DAAO in presence of D-alanine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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n/an/a 3.10n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a 5.40n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/a 5.40n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of DAAO (unknown origin)


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260722
PNG
(4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...)
Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)
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n/an/a 11n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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n/an/a 35n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433371
PNG
(CHEMBL2375519)
Show SMILES OC(=O)c1cc2occ(CCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C15H13NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,17,18)
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n/an/a 219n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM36181
PNG
(SODIUM BENZOATE | benzoate | benzoic acid | benzoi...)
Show SMILES [O-]C(=O)c1ccccc1
Show InChI InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
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n/an/a 2.09E+3n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant DAAO after 1 hr by coupled enzyme assay in presence of D-serine


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260722
PNG
(4-(4-chlorophenethyl)-1H-pyrrole-2-carboxylic acid...)
Show SMILES OC(=O)c1cc(CCc2ccc(Cl)cc2)c[nH]1
Show InChI InChI=1S/C13H12ClNO2/c14-11-5-3-9(4-6-11)1-2-10-7-12(13(16)17)15-8-10/h3-8,15H,1-2H2,(H,16,17)
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n/an/an/a 2.50E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 520 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433371
PNG
(CHEMBL2375519)
Show SMILES OC(=O)c1cc2occ(CCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C15H13NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,17,18)
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n/an/an/a 4.80E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 440 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433371
PNG
(CHEMBL2375519)
Show SMILES OC(=O)c1cc2occ(CCc3ccccc3)c2[nH]1
Show InChI InChI=1S/C15H13NO3/c17-15(18)12-8-13-14(16-12)11(9-19-13)7-6-10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2,(H,17,18)
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n/an/an/a 3.20E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 600 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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n/an/an/a 3.60E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 362 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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n/an/an/a 4.00E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 395 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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n/an/an/a 4.20E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 444 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50433372
PNG
(CHEMBL2375520)
Show SMILES Clc1cc2o[nH]c(=O)c2cc1Cl
Show InChI InChI=1S/C7H3Cl2NO2/c8-4-1-3-6(2-5(4)9)12-10-7(3)11/h1-2H,(H,10,11)
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n/an/an/a 4.20E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 498 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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n/an/an/a 4.00E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 443 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50206007
PNG
(3-Hydroxy-chromen-2-one | 3-hydroxy-2H-chromen-2-o...)
Show SMILES Oc1cc2ccccc2oc1=O
Show InChI InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
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n/an/an/a 5.60E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 496 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trace amine-associated receptor 1


(Homo sapiens (Human))
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 15n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50240500
PNG
(CHEMBL45763 | Methyl-phenethyl-amine | N-methyl-2-...)
Show SMILES CNCCc1ccccc1
Show InChI InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
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n/an/an/an/a 151n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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n/an/an/an/a 76n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50020502
PNG
(2-(3-Hydroxy-phenyl)-ethyl-ammonium | 2-(3-hydroxy...)
Show SMILES NCCc1cccc(O)c1
Show InChI InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
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n/an/an/an/a 339n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
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 225n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM85380
PNG
(3-O-Methyldopamine hydrochloride | CAS_1477-68-5 |...)
Show SMILES COc1cc(CCN)ccc1O
Show InChI InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
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n/an/an/an/a 308n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581602
PNG
(CHEBI:44715 | CHEMBL1160703)
Show SMILES NC[C@H](O)c1ccc(O)cc1 |r|
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n/an/an/an/a 1.57E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581603
PNG
(CHEBI:44808 | CHEMBL1235033)
Show SMILES NC[C@@H](O)c1ccc(O)cc1 |r|
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n/an/an/an/a 4.11E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50292375
PNG
((-)-4-hydroxy-alpha-[(methylamino)methyl]benzeneme...)
Show SMILES CNC[C@H](O)c1ccc(O)cc1 |r|
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
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n/an/an/an/a 4.73E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
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n/an/an/an/a 2.21E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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n/an/an/an/a 1.71E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM35234
PNG
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)
Show SMILES NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
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n/an/an/an/a 1.22E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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n/an/an/an/a 3.51E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581604
PNG
(SEP-363856 | SEP-856 | Sep-363856 | ULOTARONT | Ul...)
Show SMILES CNC[C@@H]1OCCc2ccsc12
PDB

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n/an/an/an/a 38n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581605
PNG
(CHEMBL5080235)
Show SMILES CNC[C@H]1OCCc2ccsc12 |r|
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n/an/an/an/a 645n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581606
PNG
(CHEMBL5094122)
Show SMILES CNCC1OCCc2ccsc12
PDB

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n/an/an/an/a 51n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581607
PNG
(CHEMBL5094291)
Show SMILES CNC[C@]1(C)OCCc2ccsc12 |r|
PDB

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n/an/an/an/a 4.57E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581608
PNG
(CHEMBL5082760)
Show SMILES NC[C@@H]1OCCc2ccsc12 |r|
PDB

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n/an/an/an/a 3.5n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581609
PNG
(CHEMBL5094071)
Show SMILES CN(C)C[C@@H]1OCCc2ccsc12 |r|
PDB

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n/an/an/an/a 203n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581610
PNG
(CHEMBL5088853)
Show SMILES C([C@@H]1OCCc2ccsc12)N1CCCC1 |r|
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n/an/an/an/a 7.20E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581611
PNG
(CHEMBL5079591)
Show SMILES NCC[C@@H]1OCCc2ccsc12 |r|
PDB

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n/an/an/an/a 233n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581612
PNG
(CHEMBL5076544)
Show SMILES CNCC1OCCCc2ccsc12
PDB

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n/an/an/an/a 321n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581613
PNG
(CHEMBL5077361)
Show SMILES NCC1OCCCc2ccsc12
PDB

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n/an/an/an/a 65n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581614
PNG
(CHEMBL5083638)
Show SMILES CNCC1OCCc2cscc12
PDB

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n/an/an/an/a 290n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50581615
PNG
(CHEMBL5093297)
Show SMILES CNC[C@@H]1OCCc2sccc12 |r|
PDB

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n/an/an/an/a 113n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM50227513
PNG
(2-(thiophen-2-yl)ethanamine | CHEMBL252803)
Show SMILES NCCc1cccs1
Show InChI InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
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n/an/an/an/a 8.30n/an/an/an/a


TBA

Assay Description
Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed as increase in intracellular cAMP incubated for 30 mins by HTRF analys...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00527
BindingDB Entry DOI: 10.7270/Q25X2DSH
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50260725
PNG
(4H-thieno[3,2-b]pyrrole-5-carboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc2sccc2[nH]1
Show InChI InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
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n/an/an/a 2.50E+3n/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant DAAO at 520 nm spectral modification by spectrophotometric analysis in presence of FAD


J Med Chem 56: 3710-24 (2013)


Article DOI: 10.1021/jm4002583
BindingDB Entry DOI: 10.7270/Q2X92CPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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