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SMILES: C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1

InChI Key: InChIKey=AFPODXVEPNVDCE-HXUWFJFHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50319538   
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 H3 receptor


(Rattus norvegicus (rat))
BDBM50319538
PNG
((R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quin...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1 |r|
Show InChI InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
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0.300n/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))
BDBM50319538
PNG
((R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quin...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1 |r|
Show InChI InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
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5.00E+3n/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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50319538
PNG
((R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quin...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1 |r|
Show InChI InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
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0.100n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319538
PNG
((R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quin...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1 |r|
Show InChI InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
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n/an/a 2.00E+4n/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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50319538
PNG
((R)-1-(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quin...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)-n1ccc(=O)cc1 |r|
Show InChI InChI=1S/C27H27N3O/c1-20-3-2-15-29(20)16-12-21-4-10-27-23(19-21)7-11-26(28-27)22-5-8-24(9-6-22)30-17-13-25(31)14-18-30/h4-11,13-14,17-20H,2-3,12,15-16H2,1H3/t20-/m1/s1
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0.120n/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