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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 = 'BDBM50222947'   
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))
BDBM50222947
PNG
(CHEMBL24921)
Show SMILES CC(C)NCCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1C
Show InChI InChI=1S/C24H32N2O2/c1-18(2)25-15-5-17-28-23-13-11-21(12-14-23)20-7-9-22(10-8-20)24(27)26-16-4-6-19(26)3/h7-14,18-19,25H,4-6,15-17H2,1-3H3
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PC cid
PC sid
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Similars

PubMed
9.80n/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))
BDBM50222947
PNG
(CHEMBL24921)
Show SMILES CC(C)NCCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1C
Show InChI InChI=1S/C24H32N2O2/c1-18(2)25-15-5-17-28-23-13-11-21(12-14-23)20-7-9-22(10-8-20)24(27)26-16-4-6-19(26)3/h7-14,18-19,25H,4-6,15-17H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
43n/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