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SMILES: O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccccc1

InChI Key: InChIKey=SXTUXOGXWDDQNV-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 = 96729   
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))
BDBM96729
PNG
(2-[5-[[anilino(oxo)methyl]amino]-1,3,4-thiadiazol-...)
Show SMILES O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccccc1
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)
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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))
BDBM96729
PNG
(2-[5-[[anilino(oxo)methyl]amino]-1,3,4-thiadiazol-...)
Show SMILES O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccccc1
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)
UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>2.99E+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))
BDBM96729
PNG
(2-[5-[[anilino(oxo)methyl]amino]-1,3,4-thiadiazol-...)
Show SMILES O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccccc1
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)
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n/an/an/an/a>1.5n/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))
BDBM96729
PNG
(2-[5-[[anilino(oxo)methyl]amino]-1,3,4-thiadiazol-...)
Show SMILES O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)Nc1ccccc1
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
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a>1.11E+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