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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 = 'BDBM50200633'   
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))
BDBM50200633
PNG
(4-(6-(2-(pyrrolidin-3-yl)ethyl)naphthalen-2-yl)ben...)
Show SMILES N#Cc1ccc(cc1)-c1ccc2cc(CCC3CCNC3)ccc2c1 |w:16.16|
Show InChI InChI=1S/C23H22N2/c24-15-18-4-6-20(7-5-18)22-10-9-21-13-17(3-8-23(21)14-22)1-2-19-11-12-25-16-19/h3-10,13-14,19,25H,1-2,11-12,16H2
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PC cid
PC sid
UniChem
Article
PubMed
3.31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50200633
PNG
(4-(6-(2-(pyrrolidin-3-yl)ethyl)naphthalen-2-yl)ben...)
Show SMILES N#Cc1ccc(cc1)-c1ccc2cc(CCC3CCNC3)ccc2c1 |w:16.16|
Show InChI InChI=1S/C23H22N2/c24-15-18-4-6-20(7-5-18)22-10-9-21-13-17(3-8-23(21)14-22)1-2-19-11-12-25-16-19/h3-10,13-14,19,25H,1-2,11-12,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
66.1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair