BDBM33097 3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl acetate::3-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ethanoate::MLS000521052::SMR000131461::acetic acid 3-[[7-(1,3-benzothiazol-2-ylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propyl ester::acetic acid 3-[[7-(1,3-benzothiazol-2-ylthio)-4-nitro-benzofurazan-5-yl]amino]propyl ester::cid_11957209

SMILES CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O

InChI Key InChIKey=JVJXCUAWYNIAOL-UHFFFAOYSA-N

Data  3 KI  7 IC50  16 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 33097   

LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  272nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataIC50: 1.49E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataIC50: 3.92E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataIC50: 8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetType-1 angiotensin II receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataIC50: 2.06E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetApelin receptor(Human)
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataIC50: 4.49E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetBcl-2-like protein 11(Human)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  16nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  86nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetBcl-2-related protein A1(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  80nMpH: 7.4 T: 2°CAssay Description:The multiplex is constructed by using beads for each protein target that have been labeled with varying intensities of red color, so that each assay ...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetBcl-2-like protein 2(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  620nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetBcl-2-related protein A1(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  170nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetApoptosis regulator Bcl-2(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  840nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataIC50: 8.81E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50: >3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  1.04E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50:  980nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataEC50: >3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataKi:  10nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataKi:  70nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
LigandPNGBDBM33097(MLS000521052 | cid_11957209 | 3-[[7-(1,3-benzothia...)
Affinity DataKi:  220nMAssay Description:University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay