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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 = 'BDBM50134485'   
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))
BDBM50134485
PNG
(CHEMBL3747062)
Show SMILES OC(=O)C(O)=O.Clc1ccc(OCCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H28ClNO.C2H2O4/c19-17-9-11-18(12-10-17)21-16-8-3-1-2-5-13-20-14-6-4-7-15-20;3-1(4)2(5)6/h9-12H,1-8,13-16H2;(H,3,4)(H,5,6)
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PC cid
PC sid
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Similars

Article
PubMed
128n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nalpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem 24: 53-72 (2016)


Article DOI: 10.1016/j.bmc.2015.11.021
BindingDB Entry DOI: 10.7270/Q2NV9M3B
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50134485
PNG
(CHEMBL3747062)
Show SMILES OC(=O)C(O)=O.Clc1ccc(OCCCCCCCN2CCCCC2)cc1
Show InChI InChI=1S/C18H28ClNO.C2H2O4/c19-17-9-11-18(12-10-17)21-16-8-3-1-2-5-13-20-14-6-4-7-15-20;3-1(4)2(5)6/h9-12H,1-8,13-16H2;(H,3,4)(H,5,6)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 75n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H3 receptor expressed in HEK293 cells assessed as inhibition of forskolin/(R)(-)-alpha-methylhista...


Bioorg Med Chem 24: 53-72 (2016)


Article DOI: 10.1016/j.bmc.2015.11.021
BindingDB Entry DOI: 10.7270/Q2NV9M3B
More data for this
Ligand-Target Pair