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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 = 'BDBM50441644'   
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


(GUINEA PIG)
BDBM50441644
PNG
(CHEMBL2437423)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCCC(F)(F)F)c2=O)ccn1
Show InChI InChI=1S/C28H34F4N6O2/c29-21-2-3-23-24(17-21)37(11-1-9-28(30,31)32)27(40)38(23)22-7-14-36(15-8-22)26(39)20-5-12-35(13-6-20)18-19-4-10-34-25(33)16-19/h2-4,10,16-17,20,22H,1,5-9,11-15,18H2,(H2,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor in guinea pig brain homogenates


Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50441644
PNG
(CHEMBL2437423)
Show SMILES Nc1cc(CN2CCC(CC2)C(=O)N2CCC(CC2)n2c3ccc(F)cc3n(CCCC(F)(F)F)c2=O)ccn1
Show InChI InChI=1S/C28H34F4N6O2/c29-21-2-3-23-24(17-21)37(11-1-9-28(30,31)32)27(40)38(23)22-7-14-36(15-8-22)26(39)20-5-12-35(13-6-20)18-19-4-10-34-25(33)16-19/h2-4,10,16-17,20,22H,1,5-9,11-15,18H2,(H2,33,34)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.30n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H3 receptor in electrically stimulated guinea pig ileum


Bioorg Med Chem Lett 23: 6001-3 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.012
BindingDB Entry DOI: 10.7270/Q2542Q1F
More data for this
Ligand-Target Pair