BDBM30703 2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline;hydrochloride::2-[(4-tert-butyl-2,6-dimethyl-phenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride::2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride::CHEMBL312448::MLS000069695::SMR000058526::XYLOMETAZOLINE HYDROCHLORIDE::Xylometazoline::cid_5282386

SMILES Cc1cc(cc(C)c1CC1=NCCN1)C(C)(C)C

InChI Key InChIKey=HUCJFAOMUPXHDK-UHFFFAOYSA-N

Data  13 KI  4 IC50  5 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 22 hits for monomerid = 30703   

Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  0.700nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 1D receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  4.80nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  4.80nMAssay Description:Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  13nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 1B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  14nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  15.1nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(MOUSE)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  24.0nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(MOUSE)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  25.7nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
TBA

Curated by PDSP Ki Database
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  39nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  91nMAssay Description:Binding affinity towards human Alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  129nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataKi:  1.05E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataIC50: >7.96E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataIC50:  580nMAssay Description:Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.2 nM) to rat isolated brain membr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataIC50:  23nMAssay Description:Binding affinity against Alpha-2 adrenergic receptor is the ability to inhibit the specific [3H]clonidine binding (0.4 nM) to rat isolated brain memb...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataEC50:  369nMAssay Description:Tested for 5-hydroxytryptamine 1D like receptor-mediated vascular effect in rabbit saphenous vein (RSV)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRecBCD enzyme subunit RecD(Escherichia coli str. K-12 substr. MG1655)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataIC50: >1.19E+5nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...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
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
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
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataEC50:  9.90E+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
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataEC50:  129nMpH: 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
LigandPNGBDBM30703(2-(4-tert-butyl-2,6-dimethyl-benzyl)-2-imidazoline...)
Affinity DataEC50:  87nMpH: 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