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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 = 'BDBM50419584'   
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))
BDBM50419584
PNG
(CHEMBL1934062)
Show SMILES C[C@H]1CCCN1[C@H](CCCOc1ccccc1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1S/C33H42N2O/c1-27-10-8-24-35(27)33(13-9-25-36-32-11-4-2-5-12-32)31-20-18-30(19-21-31)29-16-14-28(15-17-29)26-34-22-6-3-7-23-34/h2,4-5,11-12,14-21,27,33H,3,6-10,13,22-26H2,1H3/t27-,33+/m0/s1
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Similars

Article
PubMed
0.513n/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))
BDBM50419584
PNG
(CHEMBL1934062)
Show SMILES C[C@H]1CCCN1[C@H](CCCOc1ccccc1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1 |r|
Show InChI InChI=1S/C33H42N2O/c1-27-10-8-24-35(27)33(13-9-25-36-32-11-4-2-5-12-32)31-20-18-30(19-21-31)29-16-14-28(15-17-29)26-34-22-6-3-7-23-34/h2,4-5,11-12,14-21,27,33H,3,6-10,13,22-26H2,1H3/t27-,33+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.61n/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