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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50205361   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50205361
PNG
(CHEMBL3893197)
Show SMILES C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
Show InChI InChI=1S/C32H44N4O/c1-2-5-20-34(19-4-1)22-9-27-37-30-16-14-28(15-17-30)10-3-6-21-35-23-25-36(26-24-35)31-13-7-11-29-12-8-18-33-32(29)31/h7-8,11-18H,1-6,9-10,19-27H2
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0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human Histamine H3 receptor expressed in CHO cell membranes assessed as inhibition of histamine-induced [35S]GTPgammaS binding...


Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50205361
PNG
(CHEMBL3893197)
Show SMILES C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
Show InChI InChI=1S/C32H44N4O/c1-2-5-20-34(19-4-1)22-9-27-37-30-16-14-28(15-17-30)10-3-6-21-35-23-25-36(26-24-35)31-13-7-11-29-12-8-18-33-32(29)31/h7-8,11-18H,1-6,9-10,19-27H2
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16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human Histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced calcium flux preincubated for 3...


Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50205361
PNG
(CHEMBL3893197)
Show SMILES C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
Show InChI InChI=1S/C32H44N4O/c1-2-5-20-34(19-4-1)22-9-27-37-30-16-14-28(15-17-30)10-3-6-21-35-23-25-36(26-24-35)31-13-7-11-29-12-8-18-33-32(29)31/h7-8,11-18H,1-6,9-10,19-27H2
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50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...


Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50205361
PNG
(CHEMBL3893197)
Show SMILES C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
Show InChI InChI=1S/C32H44N4O/c1-2-5-20-34(19-4-1)22-9-27-37-30-16-14-28(15-17-30)10-3-6-21-35-23-25-36(26-24-35)31-13-7-11-29-12-8-18-33-32(29)31/h7-8,11-18H,1-6,9-10,19-27H2
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Article
PubMed
79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...


Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair