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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 = 'BDBM50352352'   
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))
BDBM50352352
PNG
(CHEMBL1823054)
Show SMILES COCC1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C25H34N2O3S/c1-20-5-3-16-26(20)18-15-21-7-9-22(10-8-21)23-11-13-25(14-12-23)31(28,29)27-17-4-6-24(27)19-30-2/h7-14,20,24H,3-6,15-19H2,1-2H3/t20-,24?/m1/s1
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PC sid
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Similars

Article
PubMed
5.01n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352352
PNG
(CHEMBL1823054)
Show SMILES COCC1CCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(CCN2CCC[C@H]2C)cc1 |r|
Show InChI InChI=1S/C25H34N2O3S/c1-20-5-3-16-26(20)18-15-21-7-9-22(10-8-21)23-11-13-25(14-12-23)31(28,29)27-17-4-6-24(27)19-30-2/h7-14,20,24H,3-6,15-19H2,1-2H3/t20-,24?/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.13n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


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


J Med Chem 52: 5603-11 (2009)


Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F
More data for this
Ligand-Target Pair