BDBM31055 1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea::MLS000078052::SMR000041690::cid_661085

SMILES [#6]\[#6](-[#6])=[#6]\[#6]C([#6])([#6])[#6]-[#7]-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1

InChI Key InChIKey=HBEDAKQHTXRWMU-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 31055   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31055(1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea | M...)
Affinity DataIC50:  4.00E+4nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31055(1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea | M...)
Affinity DataIC50: >5.00E+4nMAssay Description:External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBifunctional epoxide hydrolase 2(Homo sapiens (Human))
Columbia University Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31055(1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea | M...)
Affinity DataIC50:  19.6nMAssay Description:Data Source: Columbia University Molecular Screening Center Source (MLSCN Center Name): Columbia University Molecular Screening Center Center Affilia...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM31055(1-cyclohexyl-3-(2,2,5-trimethylhex-4-enyl)urea | M...)
Affinity DataIC50:  5.00E+4nMpH: 7.4 T: 2°CAssay Description:To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay