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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 = 'BDBM50222948'   
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))
BDBM50222948
PNG
(CHEMBL25342)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C25H34N2O2/c1-19(2)26-25(28)23-7-5-21(6-8-23)22-9-11-24(12-10-22)29-18-4-15-27-16-13-20(3)14-17-27/h5-12,19-20H,4,13-18H2,1-3H3,(H,26,28)
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PC cid
PC sid
UniChem

Similars

PubMed
2.10n/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))
BDBM50222948
PNG
(CHEMBL25342)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C25H34N2O2/c1-19(2)26-25(28)23-7-5-21(6-8-23)22-9-11-24(12-10-22)29-18-4-15-27-16-13-20(3)14-17-27/h5-12,19-20H,4,13-18H2,1-3H3,(H,26,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.80n/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