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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 = 'BDBM50328808'   
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))
BDBM50328808
PNG
(CHEMBL1270060 | rac-1,2,5-trimethyl-4-(naphthalen-...)
Show SMILES CC1CC(O)(C#Cc2ccc3ccccc3c2)C(C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)11-10-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,22H,13-14H2,1-3H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50328808
PNG
(CHEMBL1270060 | rac-1,2,5-trimethyl-4-(naphthalen-...)
Show SMILES CC1CC(O)(C#Cc2ccc3ccccc3c2)C(C)CN1C
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)11-10-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,15-16,22H,13-14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 810n/an/an/an/an/an/a



Athersys Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced i...


Bioorg Med Chem Lett 20: 6246-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.099
BindingDB Entry DOI: 10.7270/Q2DF6RGG
More data for this
Ligand-Target Pair