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SMILES: FC(F)(F)c1cc(nc2nc(nn12)C(=O)NCCc1ccccc1)-c1cccs1

InChI Key: InChIKey=ITAXYYNQZUTCNK-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 96598   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))
BDBM96598
PNG
(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)
UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
PCBioAssay
n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2CN72J7
More data for this
Ligand-Target Pair
Guanine nucleotide-binding protein subunit alpha-15


(Homo sapiens (Human))
BDBM96598
PNG
(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)
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
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n/an/a 2.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96598
PNG
(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

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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
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n/an/an/an/a 346n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96598
PNG
(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/an/a 1.91E+3n/an/an/an/an/an/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