null

SMILES CC(NC(=O)c1sc2cc(ccc2c1Cl)[N+]([O-])=O)C(C)(C)C

InChI Key InChIKey=JWUACHIPJWCTHH-UHFFFAOYSA-N

  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 24 hits for monomerid = 47735   

TargetRegulator of G-protein signaling 8(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataKi:  170nMAssay 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
BindingDB Entry DOI: 10.7270/Q2G73C4VPCBioAssay
TargetRegulator of G-protein signaling 16(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataKi:  170nMAssay 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
BindingDB Entry DOI: 10.7270/Q2QR4VJRPCBioAssay
TargetRegulator of G-protein signaling 16(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataEC50:  2.47E+3nMAssay 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
BindingDB Entry DOI: 10.7270/Q2FB51BWPCBioAssay
TargetRegulator of G-protein signaling 8(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataEC50:  1.97E+3nMAssay 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
BindingDB Entry DOI: 10.7270/Q2TM78JDPCBioAssay
TargetRegulator of G-protein signaling 4(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2F76B0GPCBioAssay
TargetRegulator of G-protein signaling 4(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2CF9NJZPCBioAssay
TargetRegulator of G-protein signaling 4(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2CF9NJZPCBioAssay
TargetRegulator of G-protein signaling 7(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2416VG3PCBioAssay
TargetRegulator of G-protein signaling 7(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2416VG3PCBioAssay
TargetRegulator of G-protein signaling 16(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataEC50:  214nMAssay 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
BindingDB Entry DOI: 10.7270/Q2VH5M8GPCBioAssay
TargetRegulator of G-protein signaling 16(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2VH5M8GPCBioAssay
TargetRegulator of G-protein signaling 8(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataEC50:  205nMAssay 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
BindingDB Entry DOI: 10.7270/Q2M043TQPCBioAssay
TargetRegulator of G-protein signaling 8(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2M043TQPCBioAssay
TargetRegulator of G-protein signaling 19(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2BG2MFKPCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataEC50:  2.36E+4nMAssay 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
BindingDB Entry DOI: 10.7270/Q2R78CQVPCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3G(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataIC50: 1.84E+4nMT: 2°CAssay 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
BindingDB Entry DOI: 10.7270/Q2HQ3XD6PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMT: 2°CAssay 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
BindingDB Entry DOI: 10.7270/Q2CZ35NDPCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2V12389PCBioAssay
TargetHexokinase-1(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataEC50:  4.68E+4nMAssay 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
BindingDB Entry DOI: 10.7270/Q2765CSMPCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataIC50: 1.85E+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
BindingDB Entry DOI: 10.7270/Q2ZS2TZGPCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q27H1H3WPCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q23T9FQ1PCBioAssay
TargetRegulator of G-protein signaling 7(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2PV6HS7PCBioAssay
TargetRegulator of G-protein signaling 19(Homo sapiens (Human))
NMMLSC

Curated by PubChem BioAssay
LigandPNGBDBM47735(3-chloranyl-N-(3,3-dimethylbutan-2-yl)-6-nitro-1-b...)copy SMILEScopy InChI
Affinity DataEC50:  1.02E+3nMAssay 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
BindingDB Entry DOI: 10.7270/Q2K35S27PCBioAssay