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SMILES: C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1

InChI Key: InChIKey=HZNTWQAMIOKCMC-JTSKRJEESA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50296182   
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


(Homo sapiens (Human))
BDBM50296182
PNG
(CHEMBL557853 | cis-1-(3-(4-(3-methyl-2,3-dihydrobe...)
Show SMILES C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C22H27NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22-/m0/s1
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Article
PubMed
6.70n/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))
BDBM50296182
PNG
(CHEMBL557853 | cis-1-(3-(4-(3-methyl-2,3-dihydrobe...)
Show SMILES C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C22H27NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22-/m0/s1
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Article
PubMed
n/an/a 5n/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))
BDBM50296182
PNG
(CHEMBL557853 | cis-1-(3-(4-(3-methyl-2,3-dihydrobe...)
Show SMILES C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C22H27NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22-/m0/s1
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n/an/a 6.70n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human cloned histamine H3 receptor assessed as inhibition of R-alpha-methylistamine-induced [35S]GTPgammaS binding by cel...


Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50296182
PNG
(CHEMBL557853 | cis-1-(3-(4-(3-methyl-2,3-dihydrobe...)
Show SMILES C[C@@H]1Sc2ccccc2O[C@@H]1c1ccc(OCCCN2CCCC2)cc1 |r|
Show InChI InChI=1S/C22H27NO2S/c1-17-22(25-20-7-2-3-8-21(20)26-17)18-9-11-19(12-10-18)24-16-6-15-23-13-4-5-14-23/h2-3,7-12,17,22H,4-6,13-16H2,1H3/t17-,22-/m0/s1
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of [35S]MK499 binding to human ERG transfected in HEK293 cells by microscintillation counting


Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair