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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 = 'BDBM50222967'   
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))
BDBM50222967
PNG
(CHEMBL24198)
Show SMILES O[C@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCOCC2)C1
Show InChI InChI=1S/C24H30N2O4/c27-22-10-12-25(18-22)11-1-15-30-23-8-6-20(7-9-23)19-2-4-21(5-3-19)24(28)26-13-16-29-17-14-26/h2-9,22,27H,1,10-18H2/t22-/m0/s1
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PC cid
PC sid
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Similars

PubMed
6.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222967
PNG
(CHEMBL24198)
Show SMILES O[C@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCOCC2)C1
Show InChI InChI=1S/C24H30N2O4/c27-22-10-12-25(18-22)11-1-15-30-23-8-6-20(7-9-23)19-2-4-21(5-3-19)24(28)26-13-16-29-17-14-26/h2-9,22,27H,1,10-18H2/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair