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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50327489'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50327489
PNG
(8-(3-((2S,5S)-2,5-dimethylpyrrolidin-1-yl)propoxy)...)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc2n3CCNC(=O)c3cc2c1 |r|
Show InChI InChI=1S/C20H27N3O2/c1-14-4-5-15(2)22(14)9-3-11-25-17-6-7-18-16(12-17)13-19-20(24)21-8-10-23(18)19/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,21,24)/t14-,15-/m0/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
11n/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 receptor (H3)


(Homo sapiens (Human))
BDBM50327489
PNG
(8-(3-((2S,5S)-2,5-dimethylpyrrolidin-1-yl)propoxy)...)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc2n3CCNC(=O)c3cc2c1 |r|
Show InChI InChI=1S/C20H27N3O2/c1-14-4-5-15(2)22(14)9-3-11-25-17-6-7-18-16(12-17)13-19-20(24)21-8-10-23(18)19/h6-7,12-15H,3-5,8-11H2,1-2H3,(H,21,24)/t14-,15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 24n/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