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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 = 'BDBM50220974'   
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))
BDBM50220974
PNG
(CHEMBL68176)
Show SMILES OC[C@H]1CCN(CCC#Cc2c3CCCCCc3nc3ccccc23)C1
Show InChI InChI=1S/C23H28N2O/c26-17-18-13-15-25(16-18)14-7-6-8-19-20-9-2-1-3-11-22(20)24-23-12-5-4-10-21(19)23/h4-5,10,12,18,26H,1-3,7,9,11,13-17H2/t18-/m0/s1
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PC cid
PC sid
UniChem

Similars

PubMed
955n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human H3L receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220974
PNG
(CHEMBL68176)
Show SMILES OC[C@H]1CCN(CCC#Cc2c3CCCCCc3nc3ccccc23)C1
Show InChI InChI=1S/C23H28N2O/c26-17-18-13-15-25(16-18)14-7-6-8-19-20-9-2-1-3-11-22(20)24-23-12-5-4-10-21(19)23/h4-5,10,12,18,26H,1-3,7,9,11,13-17H2/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair