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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 = 'BDBM50222964'   
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))
BDBM50222964
PNG
(CHEMBL27697)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H32N2O3/c1-3-25(4-2)14-5-17-29-23-12-10-21(11-13-23)20-6-8-22(9-7-20)24(27)26-15-18-28-19-16-26/h6-13H,3-5,14-19H2,1-2H3
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
2.40n/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))
BDBM50222964
PNG
(CHEMBL27697)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H32N2O3/c1-3-25(4-2)14-5-17-29-23-12-10-21(11-13-23)20-6-8-22(9-7-20)24(27)26-15-18-28-19-16-26/h6-13H,3-5,14-19H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.90n/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