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BDBM96897 1-(3-keto-4-methyl-1,4-benzothiazin-6-yl)-3-(2-pyridyl)urea::1-(4-methyl-3-oxidanylidene-1,4-benzothiazin-6-yl)-3-pyridin-2-yl-urea::1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-(2-pyridinyl)urea::1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-3-pyridin-2-ylurea::MLS000093564::N-(4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)-N'-pyridin-2-ylurea::SMR000029182::cid_3243427

SMILES: CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc12

InChI Key: InChIKey=DGONAYXBQVRJIF-UHFFFAOYSA-N

Data: 2 IC50  2 EC50

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 = 96897   
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
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96897
PNG
(1-(3-keto-4-methyl-1,4-benzothiazin-6-yl)-3-(2-pyr...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc12
Show InChI InChI=1S/C15H14N4O2S/c1-19-11-8-10(5-6-12(11)22-9-14(19)20)17-15(21)18-13-4-2-3-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,21)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

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/Q20G3HS3
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM96897
PNG
(1-(3-keto-4-methyl-1,4-benzothiazin-6-yl)-3-(2-pyr...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc12
Show InChI InChI=1S/C15H14N4O2S/c1-19-11-8-10(5-6-12(11)22-9-14(19)20)17-15(21)18-13-4-2-3-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,21)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.80E+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/Q2BR8QSB
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96897
PNG
(1-(3-keto-4-methyl-1,4-benzothiazin-6-yl)-3-(2-pyr...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc12
Show InChI InChI=1S/C15H14N4O2S/c1-19-11-8-10(5-6-12(11)22-9-14(19)20)17-15(21)18-13-4-2-3-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,21)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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/Q2M61HV2
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM96897
PNG
(1-(3-keto-4-methyl-1,4-benzothiazin-6-yl)-3-(2-pyr...)
Show SMILES CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc12
Show InChI InChI=1S/C15H14N4O2S/c1-19-11-8-10(5-6-12(11)22-9-14(19)20)17-15(21)18-13-4-2-3-7-16-13/h2-8H,9H2,1H3,(H2,16,17,18,21)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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/Q2VQ3196
More data for this
Ligand-Target Pair