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BDBM50352353 CHEMBL1823053

SMILES: C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(O)C1

InChI Key: InChIKey=LJGLUGFCMXPVPW-ZZWBGTBQSA-N

Data: 2 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 3 hits for monomerid = 50352353   
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))
BDBM50352353
PNG
(CHEMBL1823053)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(O)C1 |r|
Show InChI InChI=1S/C23H30N2O3S/c1-18-3-2-14-24(18)15-12-19-4-6-20(7-5-19)21-8-10-23(11-9-21)29(27,28)25-16-13-22(26)17-25/h4-11,18,22,26H,2-3,12-17H2,1H3/t18-,22?/m1/s1
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PubMed
2.45n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


J Med Chem 52: 5603-11 (2009)


Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50352353
PNG
(CHEMBL1823053)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(O)C1 |r|
Show InChI InChI=1S/C23H30N2O3S/c1-18-3-2-14-24(18)15-12-19-4-6-20(7-5-19)21-8-10-23(11-9-21)29(27,28)25-16-13-22(26)17-25/h4-11,18,22,26H,2-3,12-17H2,1H3/t18-,22?/m1/s1
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2.51n/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))
BDBM50352353
PNG
(CHEMBL1823053)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCC(O)C1 |r|
Show InChI InChI=1S/C23H30N2O3S/c1-18-3-2-14-24(18)15-12-19-4-6-20(7-5-19)21-8-10-23(11-9-21)29(27,28)25-16-13-22(26)17-25/h4-11,18,22,26H,2-3,12-17H2,1H3/t18-,22?/m1/s1
PDB
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n/an/a 7.00E+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