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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 = 'BDBM50223040'   
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))
BDBM50223040
PNG
(CHEMBL281640)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C26H36N2O2/c1-4-28(5-2)26(29)24-9-7-22(8-10-24)23-11-13-25(14-12-23)30-20-6-17-27-18-15-21(3)16-19-27/h7-14,21H,4-6,15-20H2,1-3H3
PDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
4.80n/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))
BDBM50223040
PNG
(CHEMBL281640)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C26H36N2O2/c1-4-28(5-2)26(29)24-9-7-22(8-10-24)23-11-13-25(14-12-23)30-20-6-17-27-18-15-21(3)16-19-27/h7-14,21H,4-6,15-20H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.10n/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