BDBM30712 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride::6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride::6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol;hydrochloride::MLS000038040::Oxymetazoline::SMR000059324::cid_66259

SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C

InChI Key InChIKey=WYWIFABBXFUGLM-UHFFFAOYSA-N

Data  90 KI  2 IC50  19 EC50

PDB links: 2 PDB IDs match this monomer.

  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 4 hits for monomerid = 30712   

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

Curated by PubChem BioAssay
LigandPNGBDBM30712(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Affinity DataEC50: >4.00E+4nMAssay Description:External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30712(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Affinity DataEC50:  426nMpH: 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
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30712(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Affinity DataEC50:  70nMpH: 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
Target5-hydroxytryptamine receptor 1E(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30712(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Affinity DataEC50:  99nMpH: 7.4 T: 2°CAssay Description:The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay