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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 = 'BDBM50328803'   
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))
BDBM50328803
PNG
((2S,4R,5R)-1,2,5-trimethyl-4-(naphthalen-1-ylethyn...)
Show SMILES C[C@H]1C[C@](O)(C#Cc2cccc3ccccc23)[C@H](C)CN1C |r|
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/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)
BDBM50328803
PNG
((2S,4R,5R)-1,2,5-trimethyl-4-(naphthalen-1-ylethyn...)
Show SMILES C[C@H]1C[C@](O)(C#Cc2cccc3ccccc23)[C@H](C)CN1C |r|
Show InChI InChI=1S/C20H23NO/c1-15-14-21(3)16(2)13-20(15,22)12-11-18-9-6-8-17-7-4-5-10-19(17)18/h4-10,15-16,22H,13-14H2,1-3H3/t15-,16+,20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.32E+3n/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