BDBM26265 (5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate::ESZ::Estorra::Eszopiclone::Lunesta::cid_5735

SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12

InChI Key InChIKey=DZCUZLPTNNFSNM-UHFFFAOYSA-N

Data  28 KI  1 IC50

  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 29 hits for monomerid = 26265   

TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataIC50: 4.98E+4nMAssay 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
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  0.830nM ΔG°:  -12.4kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  22.4nM ΔG°:  -10.4kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  33.8nM ΔG°:  -10.2kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  34.9nM ΔG°:  -10.2kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  46.3nM ΔG°:  -10.0kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  50.1nM ΔG°:  -9.85kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  57.9nM ΔG°:  -9.87kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  60.4nM ΔG°:  -9.84kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  62.4nM ΔG°:  -9.82kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  67nM ΔG°:  -9.78kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  70.9nM ΔG°:  -9.75kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  71.9nM ΔG°:  -9.74kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  75.2nM ΔG°:  -9.71kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  82.4nM ΔG°:  -9.66kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  102nM ΔG°:  -9.44kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  102nM ΔG°:  -9.53kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  110nM ΔG°:  -9.49kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  114nM ΔG°:  -9.37kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  119nM ΔG°:  -9.44kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  162nM ΔG°:  -9.16kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  174nM ΔG°:  -9.21kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  249nM ΔG°:  -9.00kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  393nM ΔG°:  -8.73kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  407nM ΔG°:  -8.62kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  503nM ΔG°:  -8.59kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi:  2.10E+3nM ΔG°:  -7.74kcal/moleT: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi: >1.50E+4nM ΔG°: >-6.51kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM26265(ESZ | Estorra | cid_5735 | (5S)-6-(5-chloropyridin...)
Affinity DataKi: >1.50E+4nM ΔG°: >-6.51kcal/molepH: 7.4 T: 2°CAssay Description:Membrane homogenates were incubated at room temperature with a sub-Kd concentration of radioligand in the absence or presence of seven different conc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed