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BDBM50319519 (R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-phenylthiazole::CHEMBL1084878

SMILES: C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccccc1

InChI Key: InChIKey=QKGFAFCTWJXMJH-LGWFVXIRNA-N

Data: 4 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50319519   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319519
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccccc1
Show InChI InChI=1/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(26-22)24-17-29-25(27-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/s2
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6.80n/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


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50319519
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccccc1
Show InChI InChI=1/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(26-22)24-17-29-25(27-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/s2
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6.80n/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))
BDBM50319519
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccccc1
Show InChI InChI=1/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(26-22)24-17-29-25(27-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/s2
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31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319519
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccccc1
Show InChI InChI=1/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(26-22)24-17-29-25(27-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/s2
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400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319519
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1csc(n1)-c1ccccc1
Show InChI InChI=1/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(26-22)24-17-29-25(27-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/s2
PDB
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG 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