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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 = 'BDBM50118155'   
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))
BDBM50118155
PNG
((1,2,2-Trimethyl-propyl)-carbamic acid 3-(1H-imida...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
Show InChI InChI=1S/C13H23N3O2/c1-10(13(2,3)4)16-12(17)18-7-5-6-11-8-14-9-15-11/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
13n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
In vitro Histamine H3 receptor antagonist activity in synaptosomes of rat cerebral cortex


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50118155
PNG
((1,2,2-Trimethyl-propyl)-carbamic acid 3-(1H-imida...)
Show SMILES CC(NC(=O)OCCCc1cnc[nH]1)C(C)(C)C
Show InChI InChI=1S/C13H23N3O2/c1-10(13(2,3)4)16-12(17)18-7-5-6-11-8-14-9-15-11/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 12.6n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Receptor profile was evaluated at Histamine H3 receptor of guinea pig ileum


J Med Chem 45: 4000-10 (2002)


BindingDB Entry DOI: 10.7270/Q24F1RG3
More data for this
Ligand-Target Pair