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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 = 'BDBM50222954'   
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))
BDBM50222954
PNG
(CHEMBL24865)
Show SMILES CC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](O)C2)cc1
Show InChI InChI=1S/C26H34N2O3/c1-20-11-16-28(17-12-20)26(30)23-5-3-21(4-6-23)22-7-9-25(10-8-22)31-18-2-14-27-15-13-24(29)19-27/h3-10,20,24,29H,2,11-19H2,1H3/t24-/m0/s1
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PC cid
PC sid
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Similars

PubMed
6.90n/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))
BDBM50222954
PNG
(CHEMBL24865)
Show SMILES CC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](O)C2)cc1
Show InChI InChI=1S/C26H34N2O3/c1-20-11-16-28(17-12-20)26(30)23-5-3-21(4-6-23)22-7-9-25(10-8-22)31-18-2-14-27-15-13-24(29)19-27/h3-10,20,24,29H,2,11-19H2,1H3/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
31n/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