BDBM31748 8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid::8-chloro-6-hydroxy-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid::MLS-0111541.0001::US11584714, Compound 22::cid_3453217

SMILES OC(=O)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O

InChI Key InChIKey=WGUAPOVFDKLQGB-UHFFFAOYSA-N

Data  1 KI  9 IC50  2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 31748   

TargetMannan-binding lectin serine protease 2(Homo sapiens)
Omeros

US Patent
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataKi:  1.75E+4nMAssay Description:The assay was run at room temperature in an assay buffer containing 20 mM Hepes, pH 7.4, 140 mM NaCl and 0.1% Tween 20. Assay parameters were adjuste...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataIC50:  3.68E+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
TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataIC50:  2.24E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlyceraldehyde-3-phosphate dehydrogenase(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataIC50:  3.78E+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 PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 7(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataIC50:  7.98E+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
TargetEukaryotic translation initiation factor 4 gamma 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataIC50:  5.21E+3nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataIC50:  5.40E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataEC50:  2.16E+5nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataEC50:  1.91E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTropomyosin alpha-1 chain(Sus scrofa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataIC50:  1.10E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDual specificity protein phosphatase 6(Rattus norvegicus)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataIC50:  3.54E+4nMpH: 7.0 T: 2°CAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock cognate 71 kDa protein(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM31748(8-chloranyl-9-nitro-6-oxidanyl-3a,4,5,9b-tetrahydr...)
Affinity DataIC50:  1.75E+5nMAssay 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