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BDBM50319508 (R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazole::CHEMBL1084559

SMILES: C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C

InChI Key: InChIKey=BQISWHWVPNTPCD-CQSZACIVSA-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 = 50319508   
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))
BDBM50319508
PNG
((R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C
Show InChI InChI=1S/C21H25N3S/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
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PubMed
0.190n/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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50319508
PNG
((R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C
Show InChI InChI=1S/C21H25N3S/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
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PubMed
5.10E+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
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50319508
PNG
((R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C
Show InChI InChI=1S/C21H25N3S/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
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n/an/a 2.04E+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 receptor (H3)


(Homo sapiens (human))
BDBM50319508
PNG
((R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C
Show InChI InChI=1S/C21H25N3S/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
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0.200n/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))
BDBM50319508
PNG
((R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1sc(C)nc1C
Show InChI InChI=1S/C21H25N3S/c1-14-5-4-11-24(14)12-10-17-6-8-19-18(13-17)7-9-20(23-19)21-15(2)22-16(3)25-21/h6-9,13-14H,4-5,10-12H2,1-3H3/t14-/m1/s1
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Article
PubMed
1.40n/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