BDBM42034 4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid::4-(4-hydroxy-3-nitro-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid::4-(4-hydroxy-3-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxylic acid::UNM000011067601::cid_4182169

SMILES OC(=O)c1cccc2C3C=CCC3C(Nc12)c1ccc(O)c(c1)[N+]([O-])=O

InChI Key InChIKey=GQCJWYDFODGKMZ-UHFFFAOYSA-N

Data  9 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 42034   

TargetEstrogen receptor(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataEC50:  557nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetEstrogen receptor beta(Human)
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataEC50:  9.05E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataIC50: 470nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataIC50: 250nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataIC50: 1.74E+5nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as inhibition of denatured pig heart MDH refolding by meas...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibition of human HSP60/HSP10 expressed in Escherichia coli Rosetta2(DE3) cells assessed as reduction in denatured pig heart MDH ATPase activity by...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataIC50: 800nMAssay Description:Inhibition of Escherichia coli GroEL/GroES using Escherichia coli GroEL expressed in Escherichia coli DH5alpha cells and Escherichia coli GroES expre...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataIC50: 2.30E+3nMAssay Description:Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University

Curated by ChEMBL
LigandPNGBDBM42034(4-(3-nitro-4-oxidanyl-phenyl)-3a,4,5,9b-tetrahydro...)
Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed