BDBM41587 2'-(4-chlorophenyl)-1'-cyano-4'-spiro[fluorene-9,3'-pyrazolidine]carboxylic acid methyl ester::2'-(4-chlorophenyl)-1'-cyano-spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylic acid methyl ester::MLS000549147::SMR000113935::cid_3609942::methyl 1-(4-chlorophenyl)-2-cyanospiro[pyrazolidine-5,9'-(9'H)-fluorene]-4-carboxylate::methyl 2'-(4-chlorophenyl)-1'-cyano-spiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate::methyl 2'-(4-chlorophenyl)-1'-cyanospiro[fluorene-9,3'-pyrazolidine]-4'-carboxylate

SMILES COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12

InChI Key InChIKey=FYASEYBMRPOWCR-UHFFFAOYSA-N

Data  4 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 41587   

TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41587(2'-(4-chlorophenyl)-1'-cyano-4'-spiro[fluorene-9,3...)
Affinity DataIC50:  2.79E+3nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41587(2'-(4-chlorophenyl)-1'-cyano-4'-spiro[fluorene-9,3...)
Affinity DataIC50:  607nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM41587(2'-(4-chlorophenyl)-1'-cyano-4'-spiro[fluorene-9,3...)
Affinity DataEC50:  744nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...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
LigandPNGBDBM41587(2'-(4-chlorophenyl)-1'-cyano-4'-spiro[fluorene-9,3...)
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
TargetIntegrin alpha-4(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM41587(2'-(4-chlorophenyl)-1'-cyano-4'-spiro[fluorene-9,3...)
Affinity DataEC50:  1.89E+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
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41587(2'-(4-chlorophenyl)-1'-cyano-4'-spiro[fluorene-9,3...)
Affinity DataIC50:  3.81E+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
TargetIntegrin alpha-4(Homo sapiens (Human))
Nmmlsc

Curated by PubChem BioAssay
LigandPNGBDBM41587(2'-(4-chlorophenyl)-1'-cyano-4'-spiro[fluorene-9,3...)
Affinity DataEC50:  6.71E+3nMAssay 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