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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 = 'BDBM50237872'   
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))
BDBM50237872
PNG
(2-(3-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)-1-(2-(...)
Show SMILES [#6]-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6])\[#6]-1=[#6](\C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.470n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in monkey COS7 cells


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50237872
PNG
(2-(3-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)-1-(2-(...)
Show SMILES [#6]-[#6@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]-2-[#6]-[#6]-[#6]-[#6@H]-2-[#6])\[#6]-1=[#6](\C#N)C#N
Show InChI InChI=1S/C20H32N6/c1-17-5-3-7-23(17)9-11-25-13-14-26(20(25)19(15-21)16-22)12-10-24-8-4-6-18(24)2/h17-18H,3-14H2,1-2H3/t17-,18+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.770n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat striatal membrane


Bioorg Med Chem Lett 18: 2288-91 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.006
BindingDB Entry DOI: 10.7270/Q2KW5FSF
More data for this
Ligand-Target Pair