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BDBM50064813 2-(4-tert-Butyl-benzyl)-4,5-dihydro-1H-imidazole::CHEMBL308727

SMILES: CC(C)(C)c1ccc(CC2=NCCN2)cc1

InChI Key: InChIKey=MKJFTLHXEJLBOC-UHFFFAOYSA-N

Data: 2 KI  1 EC50

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 3 hits for monomerid = 50064813   
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
5-hydroxytryptamine receptor 1D


(Homo sapiens (human))
BDBM50064813
PNG
(2-(4-tert-Butyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)12-6-4-11(5-7-12)10-13-15-8-9-16-13/h4-7H,8-10H2,1-3H3,(H,15,16)
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PC sid
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Article
PubMed
105n/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))
BDBM50064813
PNG
(2-(4-tert-Butyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)12-6-4-11(5-7-12)10-13-15-8-9-16-13/h4-7H,8-10H2,1-3H3,(H,15,16)
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6.83E+3n/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 1D


(Homo sapiens (human))
BDBM50064813
PNG
(2-(4-tert-Butyl-benzyl)-4,5-dihydro-1H-imidazole |...)
Show SMILES CC(C)(C)c1ccc(CC2=NCCN2)cc1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)12-6-4-11(5-7-12)10-13-15-8-9-16-13/h4-7H,8-10H2,1-3H3,(H,15,16)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Tested for 5-hydroxytryptamine 1D like receptor-mediated vascular effect in rabbit saphenous vein (RSV)


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