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BDBM40726 (6-bromopiazthiol-5-yl)amine::5-bromanyl-2,1,3-benzothiadiazol-6-amine::5-bromo-2,1,3-benzothiadiazol-6-amine::6-Bromo-benzo[1,2,5]thiadiazol-5-ylamine::MLS000556153::SMR000174162::cid_3096032

SMILES: Nc1cc2nsnc2cc1Br

InChI Key: InChIKey=CDEJXRZSAIZTRF-UHFFFAOYSA-N

Data: 9 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 11 hits for monomerid = 40726   
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
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
PDB
MMDB

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n/an/a 1.33E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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n/an/an/an/a 1.33E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Z036KJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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n/an/a 4.08E+4n/an/an/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2T72FVT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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n/an/an/an/a>5.00E+4n/an/an/an/a



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
List of compounds to be tested: Compounds that met the active criterion of Z-score is


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2N58JS6
More data for this
Ligand-Target Pair
BZLF2


(Human herpesvirus 4 type 2)
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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n/an/a 2.06E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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Article
PubMed
n/an/a 4.24E+4n/an/an/an/an/an/a



Jiangnan University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 (unknown origin) using 3-o-methylfluorescein phosphate as substrate by fluorescence assay


Bioorg Med Chem Lett 27: 5154-5157 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.059
BindingDB Entry DOI: 10.7270/Q2PK0JP8
More data for this
Ligand-Target Pair
PPP5C protein


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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n/an/a 2.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q23T9FN4
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
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n/an/a 3.21E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2JS9NZB
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
PDB
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n/an/a>1.00E+5n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2F18X8S
More data for this
Ligand-Target Pair
Caspase-9


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
PDB
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n/an/a 1.94E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25M647F
More data for this
Ligand-Target Pair
protein phosphatase 1, catalytic subunit, alpha isoform 3


(Homo sapiens (Human))
BDBM40726
PNG
((6-bromopiazthiol-5-yl)amine | 5-bromanyl-2,1,3-be...)
Show SMILES Nc1cc2nsnc2cc1Br
Show InChI InChI=1S/C6H4BrN3S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,8H2
PDB
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n/an/a 6.70E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q27M06CD
More data for this
Ligand-Target Pair