BDBM47938 (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-methoxy-ethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylic acid methyl ester::(4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxoethyl)-4'-spiro[fluorene-9,3'-pyrazolidine]carboxylic acid methyl ester::MLS000550560::SMR000113937::cid_6552076::methyl (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxidanylidene-ethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate::methyl (4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-methoxy-2-oxoethyl)spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate::methyl 1-(4-chlorophenyl)-2-cyano-4-(2-methoxy-2-oxoethyl)spiro[pyrazolidine-5,9'-(9'H)-fluorene]-4-carboxylate

SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC

InChI Key InChIKey=MELXVKLJUAWSEL-AREMUKBSSA-N

Data  6 IC50  3 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 9 hits for monomerid = 47938   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM47938((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Affinity DataIC50:  3.75E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM47938((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Affinity DataEC50:  2.74E+3nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM47938((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Affinity DataIC50:  2.12E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetIntegrin alpha-4(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM47938((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Affinity DataEC50: >3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47938((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
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, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetNeurotensin receptor type 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47938((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Affinity DataEC50:  3.27E+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
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM47938((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Affinity DataIC50:  3.35E+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
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM47938((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Affinity DataIC50:  2.12E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM47938((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...)
Affinity DataIC50:  4.41E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay