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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50205360   
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))
BDBM50205360
PNG
(CHEMBL3921827)
Show SMILES C(COc1ccc(CCCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
Show InChI InChI=1S/C31H42N4O/c1-2-4-19-33(18-3-1)21-8-26-36-29-15-13-27(14-16-29)9-7-20-34-22-24-35(25-23-34)30-12-5-10-28-11-6-17-32-31(28)30/h5-6,10-17H,1-4,7-9,18-26H2
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PubMed
0.398n/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))
BDBM50205360
PNG
(CHEMBL3921827)
Show SMILES C(COc1ccc(CCCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
Show InChI InChI=1S/C31H42N4O/c1-2-4-19-33(18-3-1)21-8-26-36-29-15-13-27(14-16-29)9-7-20-34-22-24-35(25-23-34)30-12-5-10-28-11-6-17-32-31(28)30/h5-6,10-17H,1-4,7-9,18-26H2
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PubMed
32n/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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50205360
PNG
(CHEMBL3921827)
Show SMILES C(COc1ccc(CCCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
Show InChI InChI=1S/C31H42N4O/c1-2-4-19-33(18-3-1)21-8-26-36-29-15-13-27(14-16-29)9-7-20-34-22-24-35(25-23-34)30-12-5-10-28-11-6-17-32-31(28)30/h5-6,10-17H,1-4,7-9,18-26H2
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PubMed
79n/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))
BDBM50205360
PNG
(CHEMBL3921827)
Show SMILES C(COc1ccc(CCCN2CCN(CC2)c2cccc3cccnc23)cc1)CN1CCCCCC1
Show InChI InChI=1S/C31H42N4O/c1-2-4-19-33(18-3-1)21-8-26-36-29-15-13-27(14-16-29)9-7-20-34-22-24-35(25-23-34)30-12-5-10-28-11-6-17-32-31(28)30/h5-6,10-17H,1-4,7-9,18-26H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
100n/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