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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50404996'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50404996
PNG
(CHEMBL4174766)
Show SMILES COc1ccc(cc1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccc(Br)cc1
Show InChI InChI=1S/C19H19FN8O5/c20-11-5-8(1-2-10(11)17(31)26-12(18(32)33)3-4-13(29)30)23-6-9-7-24-16-14(25-9)15(21)27-19(22)28-16/h1-2,5,7,12,23H,3-4,6H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)
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PC cid
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Similars

Article
PubMed
n/an/an/an/a 24n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50404996
PNG
(CHEMBL4174766)
Show SMILES COc1ccc(cc1OC)N1C(=O)\C(=C/c2ccccc2)C1(C(=O)NC(C)(C)C)c1ccc(Br)cc1
Show InChI InChI=1S/C19H19FN8O5/c20-11-5-8(1-2-10(11)17(31)26-12(18(32)33)3-4-13(29)30)23-6-9-7-24-16-14(25-9)15(21)27-19(22)28-16/h1-2,5,7,12,23H,3-4,6H2,(H,26,31)(H,29,30)(H,32,33)(H4,21,22,24,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 26n/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F cAMP plasmid DNA assessed as inhibition of forskolin-stimulated cAMP ...


Eur J Med Chem 152: 148-159 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.020
BindingDB Entry DOI: 10.7270/Q2QC063R
More data for this
Ligand-Target Pair