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BDBM50319545 2-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-6-(2-((R)-2-methylpyrrolidin-1-yl)ethyl)quinoline::CHEMBL1086098

SMILES: C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F

InChI Key: InChIKey=UBKCIYMLUUFSDB-MRXNPFEDSA-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 = 50319545   
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))
BDBM50319545
PNG
(2-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazo...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H25F2N5/c1-16-4-3-12-31(16)13-11-18-5-8-22-19(14-18)6-9-23(28-22)25-17(2)32(30-29-25)24-10-7-20(26)15-21(24)27/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
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0.350n/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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50319545
PNG
(2-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazo...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H25F2N5/c1-16-4-3-12-31(16)13-11-18-5-8-22-19(14-18)6-9-23(28-22)25-17(2)32(30-29-25)24-10-7-20(26)15-21(24)27/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
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720n/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 receptor (H3)


(Homo sapiens (human))
BDBM50319545
PNG
(2-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazo...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H25F2N5/c1-16-4-3-12-31(16)13-11-18-5-8-22-19(14-18)6-9-23(28-22)25-17(2)32(30-29-25)24-10-7-20(26)15-21(24)27/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
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0.290n/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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50319545
PNG
(2-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazo...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H25F2N5/c1-16-4-3-12-31(16)13-11-18-5-8-22-19(14-18)6-9-23(28-22)25-17(2)32(30-29-25)24-10-7-20(26)15-21(24)27/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
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n/an/a 2.80E+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
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50319545
PNG
(2-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazo...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1nnn(c1C)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H25F2N5/c1-16-4-3-12-31(16)13-11-18-5-8-22-19(14-18)6-9-23(28-22)25-17(2)32(30-29-25)24-10-7-20(26)15-21(24)27/h5-10,14-16H,3-4,11-13H2,1-2H3/t16-/m1/s1
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0.290n/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