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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50205353   
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))
BDBM50205353
PNG
(CHEMBL3947980)
Show SMILES C(COc1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
Show InChI InChI=1S/C30H40N4O/c1-2-4-18-32(17-3-1)19-7-25-35-28-13-11-26(12-14-28)15-20-33-21-23-34(24-22-33)29-10-5-8-27-9-6-16-31-30(27)29/h5-6,8-14,16H,1-4,7,15,17-25H2
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Article
PubMed
0.501n/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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50205353
PNG
(CHEMBL3947980)
Show SMILES C(COc1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
Show InChI InChI=1S/C30H40N4O/c1-2-4-18-32(17-3-1)19-7-25-35-28-13-11-26(12-14-28)15-20-33-21-23-34(24-22-33)29-10-5-8-27-9-6-16-31-30(27)29/h5-6,8-14,16H,1-4,7,15,17-25H2
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Article
PubMed
7.90n/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
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50205353
PNG
(CHEMBL3947980)
Show SMILES C(COc1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
Show InChI InChI=1S/C30H40N4O/c1-2-4-18-32(17-3-1)19-7-25-35-28-13-11-26(12-14-28)15-20-33-21-23-34(24-22-33)29-10-5-8-27-9-6-16-31-30(27)29/h5-6,8-14,16H,1-4,7,15,17-25H2
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Article
PubMed
16n/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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50205353
PNG
(CHEMBL3947980)
Show SMILES C(COc1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
Show InChI InChI=1S/C30H40N4O/c1-2-4-18-32(17-3-1)19-7-25-35-28-13-11-26(12-14-28)15-20-33-21-23-34(24-22-33)29-10-5-8-27-9-6-16-31-30(27)29/h5-6,8-14,16H,1-4,7,15,17-25H2
PDB

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Article
PubMed
20n/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