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BDBM50352361 CHEMBL558260

SMILES: CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CC1

InChI Key: InChIKey=COTQUFSBYWGOIV-UHFFFAOYSA-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 = 50352361   
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))
BDBM50352361
PNG
(CHEMBL558260)
Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C23H30N2O2S/c1-18-3-2-15-25(18)16-14-19-6-8-21(9-7-19)22-10-12-23(13-11-22)28(26,27)24-17-20-4-5-20/h6-13,18,20,24H,2-5,14-17H2,1H3
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Article
PubMed
2.51n/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))
BDBM50352361
PNG
(CHEMBL558260)
Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C23H30N2O2S/c1-18-3-2-15-25(18)16-14-19-6-8-21(9-7-19)22-10-12-23(13-11-22)28(26,27)24-17-20-4-5-20/h6-13,18,20,24H,2-5,14-17H2,1H3
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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))
BDBM50352361
PNG
(CHEMBL558260)
Show SMILES CC1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NCC1CC1
Show InChI InChI=1S/C23H30N2O2S/c1-18-3-2-15-25(18)16-14-19-6-8-21(9-7-19)22-10-12-23(13-11-22)28(26,27)24-17-20-4-5-20/h6-13,18,20,24H,2-5,14-17H2,1H3
PDB
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n/an/a 2.56E+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