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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 = 'BDBM50327493'   
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))
BDBM50327493
PNG
(8-(1-isopropylpiperidin-4-yloxy)-2-(2-methoxyethyl...)
Show SMILES COCCN1CCn2c(cc3cc(OC4CCN(CC4)C(C)C)ccc23)C1=O
Show InChI InChI=1S/C22H31N3O3/c1-16(2)23-8-6-18(7-9-23)28-19-4-5-20-17(14-19)15-21-22(26)24(12-13-27-3)10-11-25(20)21/h4-5,14-16,18H,6-13H2,1-3H3
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PC cid
PC sid
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Similars

Article
PubMed
19n/an/an/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-RAMH from human histamine H3 receptor


Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50327493
PNG
(8-(1-isopropylpiperidin-4-yloxy)-2-(2-methoxyethyl...)
Show SMILES COCCN1CCn2c(cc3cc(OC4CCN(CC4)C(C)C)ccc23)C1=O
Show InChI InChI=1S/C22H31N3O3/c1-16(2)23-8-6-18(7-9-23)28-19-4-5-20-17(14-19)15-21-22(26)24(12-13-27-3)10-11-25(20)21/h4-5,14-16,18H,6-13H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 51n/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant histamine H3 receptor assessed as effect on [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair