Found 415 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96743
(4-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyr...)Show InChI InChI=1S/C12H13NO/c1-8-6-13-7-10-9-4-2-3-5-11(9)14-12(8)10/h2-5,8,13H,6-7H2,1H3 | PDB
Reactome pathway
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| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96559
(2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-...)Show InChI InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15) | PDB
Reactome pathway
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Similars
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| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96571
(2-methyl-6-(2-phenylethylamino)oxane-3,4,5-triol |...)Show InChI InChI=1S/C14H21NO4/c1-9-11(16)12(17)13(18)14(19-9)15-8-7-10-5-3-2-4-6-10/h2-6,9,11-18H,7-8H2,1H3 | PDB
Reactome pathway
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| n/a | n/a | 161 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96596
(2-(2-Phenylamino-quinazolin-4-ylamino)-ethanol | 2...)Show InChI InChI=1S/C16H16N4O/c21-11-10-17-15-13-8-4-5-9-14(13)19-16(20-15)18-12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H2,17,18,19,20) | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96768
(4-[(2-phenylethylamino)methylidene]-1-cyclohexa-2,...)Show InChI InChI=1S/C15H15NO/c17-15-8-6-14(7-9-15)12-16-11-10-13-4-2-1-3-5-13/h1-9,12,17H,10-11H2 | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
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PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96823
(7-methyl-N-(2-phenylethyl)-8-(3,4,5-trimethoxyphen...)Show SMILES COc1cc(cc(OC)c1OC)C1C(C)C(NCCc2ccccc2)Oc2cc3OCOc3cc12 Show InChI InChI=1S/C28H31NO6/c1-17-26(19-12-24(30-2)27(32-4)25(13-19)31-3)20-14-22-23(34-16-33-22)15-21(20)35-28(17)29-11-10-18-8-6-5-7-9-18/h5-9,12-15,17,26,28-29H,10-11,16H2,1-4H3 | PDB
Reactome pathway
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| PC cid
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| n/a | n/a | 261 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96658
(3-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-...)Show InChI InChI=1S/C16H16N4O2/c21-9-8-17-15-13-6-1-2-7-14(13)19-16(20-15)18-11-4-3-5-12(22)10-11/h1-7,10,21-22H,8-9H2,(H2,17,18,19,20) | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96655
((6E)-4-chloranyl-6-[(2-phenylethylamino)methyliden...)Show InChI InChI=1S/C15H14ClNO/c16-14-6-7-15(18)13(10-14)11-17-9-8-12-4-2-1-3-5-12/h1-7,10-11,18H,8-9H2 | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96810
((2-anilino-6-methyl-pyrimidin-4-yl)-dimethyl-amine...)Show InChI InChI=1S/C13H16N4/c1-10-9-12(17(2)3)16-13(14-10)15-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,14,15,16) | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96714
(3,4-dihydro-2H-carbazol-1-yl(phenethyl)amine;hydro...)Show SMILES C(Cc1ccccc1)N=C1CCCc2c1[nH]c1ccccc21 |w:8.8| Show InChI InChI=1S/C20H20N2/c1-2-7-15(8-3-1)13-14-21-19-12-6-10-17-16-9-4-5-11-18(16)22-20(17)19/h1-5,7-9,11,22H,6,10,12-14H2/b21-19+ | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96736
(1-[6-(7-chloranylquinazolin-4-yl)oxypyridin-3-yl]-...)Show SMILES Fc1ccc(NC(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc34)nc2)cc1 Show InChI InChI=1S/C20H13ClFN5O2/c21-12-1-7-16-17(9-12)24-11-25-19(16)29-18-8-6-15(10-23-18)27-20(28)26-14-4-2-13(22)3-5-14/h1-11H,(H2,26,27,28) | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM49173
((4-aminoquinazolin-2-yl)-phenyl-amine;hydrochlorid...)Show InChI InChI=1S/C14H12N4/c15-13-11-8-4-5-9-12(11)17-14(18-13)16-10-6-2-1-3-7-10/h1-9H,(H3,15,16,17,18) | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96726
(1-(aminomethyl)-2-naphthalenol | 1-(aminomethyl)-2...)Show InChI InChI=1S/C11H11NO/c12-7-10-9-4-2-1-3-8(9)5-6-11(10)13/h1-6,13H,7,12H2 | PDB
Reactome pathway
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| n/a | n/a | 463 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96641
(MLS000585149 | N-(3,4-dihydro-1H-2-benzopyran-1-yl...)Show InChI InChI=1S/C19H21NO3/c1-21-17-8-7-14(11-18(17)22-2)12-20-13-19-16-6-4-3-5-15(16)9-10-23-19/h3-8,11-12,19H,9-10,13H2,1-2H3/b20-12+ | PDB
Reactome pathway
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96601
(2-[(2-methyl-1H-indol-3-yl)methyl]-1,2,3,4-tetrahy...)Show InChI InChI=1S/C19H20N2/c1-14-18(17-8-4-5-9-19(17)20-14)13-21-11-10-15-6-2-3-7-16(15)12-21/h2-9,20H,10-13H2,1H3 | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM71074
(5-(2-phenylethylamino)-1H-pyrimidine-2,4-dione | 5...)Show InChI InChI=1S/C12H13N3O2/c16-11-10(8-14-12(17)15-11)13-7-6-9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H2,14,15,16,17) | PDB
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| n/a | n/a | 604 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96637
((3,5-Dimethoxy-benzylidene)-isochroman-1-ylmethyl-...)Show InChI InChI=1S/C19H21NO3/c1-21-16-9-14(10-17(11-16)22-2)12-20-13-19-18-6-4-3-5-15(18)7-8-23-19/h3-6,9-12,19H,7-8,13H2,1-2H3/b20-12+ | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96576
(2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethylidene]i...)Show SMILES [#6]\[#6](-[#7]-1-[#6]-[#6]-c2ccccc2-[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O Show InChI InChI=1S/C20H17NO2/c1-13(21-11-10-14-6-2-3-7-15(14)12-21)18-19(22)16-8-4-5-9-17(16)20(18)23/h2-9H,10-12H2,1H3 | PDB
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| n/a | n/a | 659 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96564
(4-[3-(3-phenethyl-2,4-dihydro-[1,3,5]triazino[1,2-...)Show SMILES C(CN1CCOCC1)CN1CN(CCc2ccccc2)Cn2c1nc1ccccc21 Show InChI InChI=1S/C24H31N5O/c1-2-7-21(8-3-1)11-14-27-19-28(13-6-12-26-15-17-30-18-16-26)24-25-22-9-4-5-10-23(22)29(24)20-27/h1-5,7-10H,6,11-20H2 | PDB
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| n/a | n/a | 748 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96821
(1,3-dimethyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazi...)Show InChI InChI=1S/C14H15NO/c1-9-14-12-6-4-3-5-11(12)7-8-13(14)16-10(2)15-9/h3-10,15H,1-2H3 | PDB
Reactome pathway
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| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96636
(4-(5-Phenethyl-2-thioxo-[1,3,5]triazinan-1-yl)-ben...)Show InChI InChI=1S/C20H23N3O2S/c1-2-25-19(24)17-8-10-18(11-9-17)23-15-22(14-21-20(23)26)13-12-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3,(H,21,26) | PDB
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| n/a | n/a | 776 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96552
(2-anilino-6-(1-pyrrolidinyl)-1H-1,3,5-triazin-4-on...)Show InChI InChI=1S/C13H15N5O/c19-13-16-11(14-10-6-2-1-3-7-10)15-12(17-13)18-8-4-5-9-18/h1-3,6-7H,4-5,8-9H2,(H2,14,15,16,17,19) | PDB
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The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM36895
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4,5-te...)Show InChI InChI=1S/C21H23NO3/c23-19(18-5-6-20-21(15-18)25-14-13-24-20)9-12-22-10-7-16-3-1-2-4-17(16)8-11-22/h1-6,15H,7-14H2 | PDB
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| n/a | n/a | 828 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM29135
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 | PDB
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| n/a | n/a | 882 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96703
(MLS000770180 | N-[(E)-[2-(1H-imidazol-2-yl)-1-phen...)Show SMILES C(C(N=Nc1ccccc1)c1ccccc1)c1ncc[nH]1 |w:2.1| Show InChI InChI=1S/C17H16N4/c1-3-7-14(8-4-1)16(13-17-18-11-12-19-17)21-20-15-9-5-2-6-10-15/h1-12,16H,13H2,(H,18,19)/b21-20+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| PCBioAssay
| n/a | n/a | 925 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96724
(2-(9-phenanthrenyl)guanidine | 2-(9-phenanthryl)gu...)Show InChI InChI=1S/C15H13N3/c16-15(17)18-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H,(H4,16,17,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 933 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96611
(4-[(2E)-2-benzylidenehydrazinyl]-5-chloro-1H-pyrid...)Show InChI InChI=1S/C11H9ClN4O/c12-10-9(7-14-16-11(10)17)15-13-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,16,17)/b15-13+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 981 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96614
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-3,3,3-trifluor...)Show SMILES CCOC(=O)C(NC(=O)CC)(N1CCc2ccccc2C1)C(F)(F)F Show InChI InChI=1S/C17H21F3N2O3/c1-3-14(23)21-16(17(18,19)20,15(24)25-4-2)22-10-9-12-7-5-6-8-13(12)11-22/h5-8H,3-4,9-11H2,1-2H3,(H,21,23) | PDB
Reactome pathway
KEGG
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Similars
| PCBioAssay
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96707
(5-[2,5-dimethyl-1-(2-phenylethyl)-3-pyrrolyl]-N-et...)Show SMILES CCNC1=NN=C(CS1)c1cc(C)n(CCc2ccccc2)c1C |c:5,t:3| Show InChI InChI=1S/C19H24N4S/c1-4-20-19-22-21-18(13-24-19)17-12-14(2)23(15(17)3)11-10-16-8-6-5-7-9-16/h5-9,12H,4,10-11,13H2,1-3H3,(H,20,22) | PDB
Reactome pathway
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Similars
| PCBioAssay
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96729
(2-[5-[[anilino(oxo)methyl]amino]-1,3,4-thiadiazol-...)Show InChI InChI=1S/C17H15N5O2S/c23-14(18-12-7-3-1-4-8-12)11-15-21-22-17(25-15)20-16(24)19-13-9-5-2-6-10-13/h1-10H,11H2,(H,18,23)(H2,19,20,22,24) | PDB
Reactome pathway
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| PCBioAssay
| n/a | n/a | >1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM50001922
(2-Naphthalen-1-ylmethyl-4,5-dihydro-1H-imidazole; ...)Show InChI InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16) | PDB
Reactome pathway
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CHEMBL
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MCE
KEGG
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PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96690
(4-[[(5-bromanylthiophen-2-yl)sulfonylamino]methyl]...)Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1 |(8.62,11.96,;8.62,10.42,;10.16,10.42,;7.08,10.42,;8.62,8.88,;9.95,8.11,;9.95,6.57,;8.62,5.8,;8.62,4.26,;7.29,3.49,;7.29,1.95,;5.95,1.18,;4.62,1.95,;5.95,-.36,;7.29,-1.13,;7.29,-2.67,;5.95,-3.44,;5.95,-4.98,;4.62,-5.75,;4.62,-7.29,;3.08,-7.29,;6.16,-7.29,;4.62,-8.83,;3.37,-9.73,;3.85,-11.2,;5.39,-11.2,;6.3,-12.44,;5.87,-9.73,;4.62,-2.67,;4.62,-1.13,;7.29,6.57,;7.29,8.11,)| Show InChI InChI=1S/C20H26BrN3O5S3/c21-18-9-10-19(30-18)32(28,29)24-13-15-1-5-16(6-2-15)20(25)23-12-11-14-3-7-17(8-4-14)31(22,26)27/h3-4,7-10,15-16,24H,1-2,5-6,11-13H2,(H,23,25)(H2,22,26,27) | PDB
Reactome pathway
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| PCBioAssay
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96725
(2-[(E)-(2,6-dichlorobenzylidene)amino]guanidine | ...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:4.3| Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14) | PDB
Reactome pathway
KEGG
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PC sid
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Similars
| PCBioAssay
| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96800
(1-pyrrolidinecarbodithioic acid [2-oxo-2-(2-phenyl...)Show InChI InChI=1S/C15H20N2OS2/c18-14(12-20-15(19)17-10-4-5-11-17)16-9-8-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,16,18) | PDB
Reactome pathway
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UniChem
| PCBioAssay
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM50136861
((E)-3-Phenethylcarbamoyl-acrylic acid | CHEMBL1526...)Show InChI InChI=1S/C12H13NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,13,14)(H,15,16)/b7-6+ | PDB
Reactome pathway
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PC sid
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| PCBioAssay
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96887
((2S)-1-[(2S)-2-benzamido-3-methyl-1-oxobutyl]-N-[2...)Show SMILES CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C25H30ClN3O3/c1-17(2)22(28-23(30)19-10-4-3-5-11-19)25(32)29-16-8-13-21(29)24(31)27-15-14-18-9-6-7-12-20(18)26/h3-7,9-12,17,21-22H,8,13-16H2,1-2H3,(H,27,31)(H,28,30)/t21-,22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96660
(4-[(1-tert-amyltetrazol-5-yl)-(3,4-dihydro-1H-isoq...)Show SMILES CCC(C)(C)n1nnnc1C(N1CCc2ccccc2C1)c1ccc(O)cc1 Show InChI InChI=1S/C22H27N5O/c1-4-22(2,3)27-21(23-24-25-27)20(17-9-11-19(28)12-10-17)26-14-13-16-7-5-6-8-18(16)15-26/h5-12,20,28H,4,13-15H2,1-3H3 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
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Similars
| PCBioAssay
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM50001
(4-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(3,4-dihydro-1...)Show SMILES COc1cc(ccc1O)C(N1CCc2ccccc2C1)c1nnnn1C1CCCC1 Show InChI InChI=1S/C23H27N5O2/c1-30-21-14-17(10-11-20(21)29)22(23-24-25-26-28(23)19-8-4-5-9-19)27-13-12-16-6-2-3-7-18(16)15-27/h2-3,6-7,10-11,14,19,22,29H,4-5,8-9,12-13,15H2,1H3 | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96595
(1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3-(3-phenyl-...)Show InChI InChI=1S/C21H23NO3/c23-19(17-6-7-20-21(14-17)25-13-12-24-20)9-11-22-10-8-18(15-22)16-4-2-1-3-5-16/h1-7,14,18H,8-13,15H2 | PDB
Reactome pathway
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PC sid
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Similars
| PCBioAssay
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96553
(3-(3-Phenyl-pyrrolidin-1-yl)-1-thiophen-2-yl-propa...)Show InChI InChI=1S/C17H19NOS/c19-16(17-7-4-12-20-17)9-11-18-10-8-15(13-18)14-5-2-1-3-6-14/h1-7,12,15H,8-11,13H2 | PDB
Reactome pathway
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UniChem
| PCBioAssay
| n/a | n/a | 1.49E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96885
((2S)-N-[2-(2-chlorophenyl)ethyl]-1-[(2S)-2-[(3,4-d...)Show SMILES CC(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl Show InChI InChI=1S/C25H28Cl3N3O3/c1-15(2)22(30-23(32)17-9-10-19(27)20(28)14-17)25(34)31-13-5-8-21(31)24(33)29-12-11-16-6-3-4-7-18(16)26/h3-4,6-7,9-10,14-15,21-22H,5,8,11-13H2,1-2H3,(H,29,33)(H,30,32)/t21-,22-/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
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GoogleScholar
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| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM60577
(4-[4-(2-Hydroxy-ethylamino)-quinazolin-2-ylamino]-...)Show InChI InChI=1S/C16H16N4O2/c21-10-9-17-15-13-3-1-2-4-14(13)19-16(20-15)18-11-5-7-12(22)8-6-11/h1-8,21-22H,9-10H2,(H2,17,18,19,20) | PDB
Reactome pathway
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PC sid
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Similars
| PCBioAssay
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM49184
((4-aminoquinazolin-2-yl)-(3-fluorophenyl)amine;hyd...)Show InChI InChI=1S/C14H11FN4/c15-9-4-3-5-10(8-9)17-14-18-12-7-2-1-6-11(12)13(16)19-14/h1-8H,(H3,16,17,18,19) | PDB
Reactome pathway
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Similars
| PCBioAssay
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96588
(4-keto-4-(phenethylamino)butyric acid propargyl es...)Show InChI InChI=1S/C15H17NO3/c1-2-12-19-15(18)9-8-14(17)16-11-10-13-6-4-3-5-7-13/h1,3-7H,8-12H2,(H,16,17) | PDB
Reactome pathway
KEGG
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PC sid
UniChem
| PCBioAssay
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96604
(2-[(E)-(phenylmethylene)amino]guanidine | 2-[(E)-(...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccccc1 |w:4.3| Show InChI InChI=1S/C8H10N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-6H,(H4,9,10,12) | PDB
Reactome pathway
KEGG
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PC sid
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Similars
| PCBioAssay
| n/a | n/a | 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM47589
(1-Ethyl-6-fluoro-4-oxo-7-{N'-[1-phenyl-meth-(E...)Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N=NCc1ccccc1 |w:17.18| Show InChI InChI=1S/C19H16FN3O3/c1-2-23-11-14(19(25)26)18(24)13-8-15(20)16(9-17(13)23)22-21-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,25,26) | PDB
Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96771
(MLS001177999 | SMR000588096 | cid_16248606 | cyclo...)Show InChI InChI=1S/C15H23N/c1-2-7-11-15(10-6-1)16-13-12-14-8-4-3-5-9-14/h3-5,8-9,15-16H,1-2,6-7,10-13H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM73071
(2,3,4,5-tetrahydro-1H-pyrid[4,3-b]indole;hydrochlo...)Show InChI InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10/h1-4,12-13H,5-7H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96761
(6,8-Dimethyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-...)Show InChI InChI=1S/C21H24N2O/c1-14-5-4-6-17(10-14)7-8-22-13-19-12-18-11-15(2)9-16(3)20(18)23-21(19)24/h4-6,9-12,22H,7-8,13H2,1-3H3,(H,23,24) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PCBioAssay
| n/a | n/a | 1.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
Trace amine-associated receptor 1
(Homo sapiens (Human)) | BDBM96598
(MLS000594426 | N-(2-phenylethyl)-5-(2-thienyl)-7-(...)Show SMILES FC(F)(F)c1cc(nc2nc(nn12)C(=O)NCCc1ccccc1)-c1cccs1 Show InChI InChI=1S/C19H14F3N5OS/c20-19(21,22)15-11-13(14-7-4-10-29-14)24-18-25-16(26-27(15)18)17(28)23-9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,23,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| PCBioAssay
| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center
Curated by PubChem BioAssay
| |
PubChem Bioassay (2013)
BindingDB Entry DOI: 10.7270/Q280517J |
More data for this
Ligand-Target Pair | |
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