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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 = 'BDBM50419587'   
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))
BDBM50419587
PNG
(CHEMBL1934058)
Show SMILES CCCC[C@@H](N1CCCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1S/C29H42N2/c1-3-4-11-29(31-22-9-6-10-24(31)2)28-18-16-27(17-19-28)26-14-12-25(13-15-26)23-30-20-7-5-8-21-30/h12-19,24,29H,3-11,20-23H2,1-2H3/t24-,29+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.02n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in GPCR97 transfected human SK-N-MC cells


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50419587
PNG
(CHEMBL1934058)
Show SMILES CCCC[C@@H](N1CCCC[C@@H]1C)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1S/C29H42N2/c1-3-4-11-29(31-22-9-6-10-24(31)2)28-18-16-27(17-19-28)26-14-12-25(13-15-26)23-30-20-7-5-8-21-30/h12-19,24,29H,3-11,20-23H2,1-2H3/t24-,29+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
26.3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from rat histamine H3 receptor in rat cerebral cortex membranes


Eur J Med Chem 48: 214-30 (2012)


Article DOI: 10.1016/j.ejmech.2011.12.019
BindingDB Entry DOI: 10.7270/Q23X87XW
More data for this
Ligand-Target Pair