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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM158358'   
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))
BDBM158358
PNG
(US9029381, 10 | US9029381, 11 | US9029381, 12)
Show SMILES CC(C)N1CCN(CC1)C(=O)[C@H]1CC1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H23FN2O/c1-12(2)19-7-9-20(10-8-19)17(21)16-11-15(16)13-3-5-14(18)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3/t15?,16-/m0/s1
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PC cid
PC sid
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Similars

US Patent
n/an/a 1.63n/an/an/an/an/an/a



Astrazeneca AB

US Patent


Assay Description
The H3 binding assay was/can be used to evaluate the ability of at least one compound in accordance with formula I, Ia, Ib, and/or Ic to inhibit [3H]...


US Patent US9029381 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BDG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM158358
PNG
(US9029381, 10 | US9029381, 11 | US9029381, 12)
Show SMILES CC(C)N1CCN(CC1)C(=O)[C@H]1CC1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H23FN2O/c1-12(2)19-7-9-20(10-8-19)17(21)16-11-15(16)13-3-5-14(18)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3/t15?,16-/m0/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10.2n/an/an/an/an/an/a



Astrazeneca AB

US Patent


Assay Description
The H3 binding assay was/can be used to evaluate the ability of at least one compound in accordance with formula I, Ia, Ib, and/or Ic to inhibit [3H]...


US Patent US9029381 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BDG
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM158358
PNG
(US9029381, 10 | US9029381, 11 | US9029381, 12)
Show SMILES CC(C)N1CCN(CC1)C(=O)[C@H]1CC1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C17H23FN2O/c1-12(2)19-7-9-20(10-8-19)17(21)16-11-15(16)13-3-5-14(18)6-4-13/h3-6,12,15-16H,7-11H2,1-2H3/t15?,16-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.63E+3n/an/an/an/an/an/a



Astrazeneca AB

US Patent


Assay Description
The H3 binding assay was/can be used to evaluate the ability of at least one compound in accordance with formula I, Ia, Ib, and/or Ic to inhibit [3H]...


US Patent US9029381 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1BDG
More data for this
Ligand-Target Pair