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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50268998'   
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


(Rattus norvegicus (rat))
BDBM50268998
PNG
((1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-[5-(1-is...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C21H29N3O4S/c1-15(2)23-7-5-17(6-8-23)28-18-3-4-19-16(13-18)14-20(22-19)21(25)24-9-11-29(26,27)12-10-24/h3-4,13-15,17,22H,5-12H2,1-2H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair