BDBM61011 (3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluorene-9,5'-pyrazolidine]-3',4'-dicarboxylic acid dimethyl ester::(3'S,4'R)-1'-(4-chlorophenyl)-2'-cyanospiro[fluorene-9,5'-pyrazolidine]-3',4'-dicarboxylic acid dimethyl ester::MLS000549148::SMR000113936::cid_9499902::dimethyl (3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluorene-9,5'-pyrazolidine]-3',4'-dicarboxylate::dimethyl (3'S,4'R)-1'-(4-chlorophenyl)-2'-cyanospiro[fluorene-9,5'-pyrazolidine]-3',4'-dicarboxylate::dimethyl 1-(4-chlorophenyl)-2-cyanospiro[pyrazolidine-5,9'-(9'H)-fluorene]-3,4-dicarboxylate

SMILES COC(=O)[C@@H]1[C@@H](C(=O)OC)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21

InChI Key InChIKey=QWMXMGMTHNMWGS-GOTSBHOMSA-N

Data  7 IC50  4 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 11 hits for monomerid = 61011   

TargetG-protein coupled receptor 55(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Affinity DataEC50:  3.20E+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
TargetHeat shock factor protein 1(Mus musculus)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Affinity DataEC50:  8.22E+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
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Affinity DataIC50:  4.65E+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
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
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
TargetIntegrin alpha-4(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Affinity DataEC50: >4.92E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1 R01 HL081062-01 Project Title: HTS for Identification of VLA-4 Allosteric Modulators (ML...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetReceptor-interacting serine/threonine-protein kinase 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Affinity DataIC50:  1.78E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Affinity DataIC50:  2.04E+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
TargetDNA damage-inducible transcript 3 protein(Mus musculus)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Affinity DataIC50:  4.65E+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
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
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
TargetBeta-lactamase(Pseudomonas aeruginosa)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Affinity DataIC50: >4.98E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetX-box-binding protein 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM61011((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...)
Affinity DataIC50:  1.00E+4nMAssay 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