new BindingDB logo
myBDB logout

BDBM22536 1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylbutan-1-one::4-Benzyl-1H-imidazole derivative, 17

SMILES: CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1

InChI Key: InChIKey=SHQNNJIERWMYHK-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 2 hits for monomerid = 22536   
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
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22536
PNG
(1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...)
Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6 -11.2n/an/an/an/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH4R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22536
PNG
(1-[3-(1H-imidazol-4-ylmethyl)phenyl]-3,3-dimethylb...)
Show SMILES CC(C)(C)CC(=O)c1cccc(Cc2cnc[nH]2)c1
Show InChI InChI=1S/C16H20N2O/c1-16(2,3)9-15(19)13-6-4-5-12(7-13)8-14-10-17-11-18-14/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
32 -10.2n/an/a 79n/an/a7.425



VU University Amsterdam



Assay Description
Ligand displacement assays were performed on CHO cells membranes expressing hH3R. Retained radioactivity was determined by liquid scintillation count...


J Med Chem 51: 2944-53 (2008)


Article DOI: 10.1021/jm7014149
BindingDB Entry DOI: 10.7270/Q24F1P2W
More data for this
Ligand-Target Pair