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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50193199'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50193199
PNG
((S)-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)-3...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)N2CCC[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C19H23F3N2O/c20-19(21,22)16-8-5-15(6-9-16)7-10-18(25)24-13-3-4-17(24)14-23-11-1-2-12-23/h5-10,17H,1-4,11-14H2/b10-7+/t17-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity at histamine H3 receptor by hH3-[35S]GTPgamma[S] binding assay


Bioorg Med Chem Lett 16: 5303-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.093
BindingDB Entry DOI: 10.7270/Q2RV0NBD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50193199
PNG
((S)-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)-3...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)N2CCC[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C19H23F3N2O/c20-19(21,22)16-8-5-15(6-9-16)7-10-18(25)24-13-3-4-17(24)14-23-11-1-2-12-23/h5-10,17H,1-4,11-14H2/b10-7+/t17-/m0/s1
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5n/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 receptor (H3)


(Homo sapiens (Human))
BDBM50193199
PNG
((S)-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)-3...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)N2CCC[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C19H23F3N2O/c20-19(21,22)16-8-5-15(6-9-16)7-10-18(25)24-13-3-4-17(24)14-23-11-1-2-12-23/h5-10,17H,1-4,11-14H2/b10-7+/t17-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


J Med Chem 54: 26-53 (2011)


Article DOI: 10.1021/jm100064d
BindingDB Entry DOI: 10.7270/Q2VQ33RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50193199
PNG
((S)-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)-3...)
Show SMILES FC(F)(F)c1ccc(\C=C\C(=O)N2CCC[C@H]2CN2CCCC2)cc1 |r|
Show InChI InChI=1S/C19H23F3N2O/c20-19(21,22)16-8-5-15(6-9-16)7-10-18(25)24-13-3-4-17(24)14-23-11-1-2-12-23/h5-10,17H,1-4,11-14H2/b10-7+/t17-/m0/s1
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7n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair