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BDBM50064817 2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole::CHEMBL71033

SMILES: Cc1cccc(C)c1CC1=NCCN1

InChI Key: InChIKey=GPUVYOKQAJEFBO-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50064817   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
trace amine-associated receptor 1


(Homo sapiens)
BDBM50064817
PNG
(2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES Cc1cccc(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
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Article
PubMed
82n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine from human TAAR1 receptor expressed in HEK293 cells after 90 mins by b...


Bioorg Med Chem Lett 22: 5244-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.060
BindingDB Entry DOI: 10.7270/Q2W0973B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50064817
PNG
(2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES Cc1cccc(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
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Article
PubMed
2.21E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 14: 4697-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.085
BindingDB Entry DOI: 10.7270/Q2FJ2G7V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50064817
PNG
(2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES Cc1cccc(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
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PC sid
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Article
PubMed
2.21E+3n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50064817
PNG
(2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES Cc1cccc(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
PDB

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PC sid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]-5-HT trifluoroacetate as radioligand


J Med Chem 41: 2243-51 (1998)


Article DOI: 10.1021/jm970513p
BindingDB Entry DOI: 10.7270/Q28K7872
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50064817
PNG
(2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES Cc1cccc(C)c1CC1=NCCN1
Show InChI InChI=1S/C12H16N2/c1-9-4-3-5-10(2)11(9)8-12-13-6-7-14-12/h3-5H,6-8H2,1-2H3,(H,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 14: 4697-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.085
BindingDB Entry DOI: 10.7270/Q2FJ2G7V
More data for this
Ligand-Target Pair