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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50205355   
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))
BDBM50205355
PNG
(CHEMBL3952802)
Show SMILES OC(=O)\C=C\c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
Show InChI InChI=1S/C33H42N4O3/c38-32(39)16-13-29-12-11-28-7-5-8-31(33(28)34-29)37-24-22-36(23-25-37)21-17-27-9-14-30(15-10-27)40-26-6-20-35-18-3-1-2-4-19-35/h5,7-16H,1-4,6,17-26H2,(H,38,39)/b16-13+
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PubMed
1.60n/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))
BDBM50205355
PNG
(CHEMBL3952802)
Show SMILES OC(=O)\C=C\c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
Show InChI InChI=1S/C33H42N4O3/c38-32(39)16-13-29-12-11-28-7-5-8-31(33(28)34-29)37-24-22-36(23-25-37)21-17-27-9-14-30(15-10-27)40-26-6-20-35-18-3-1-2-4-19-35/h5,7-16H,1-4,6,17-26H2,(H,38,39)/b16-13+
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PubMed
63n/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))
BDBM50205355
PNG
(CHEMBL3952802)
Show SMILES OC(=O)\C=C\c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
Show InChI InChI=1S/C33H42N4O3/c38-32(39)16-13-29-12-11-28-7-5-8-31(33(28)34-29)37-24-22-36(23-25-37)21-17-27-9-14-30(15-10-27)40-26-6-20-35-18-3-1-2-4-19-35/h5,7-16H,1-4,6,17-26H2,(H,38,39)/b16-13+
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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 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))
BDBM50205355
PNG
(CHEMBL3952802)
Show SMILES OC(=O)\C=C\c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1
Show InChI InChI=1S/C33H42N4O3/c38-32(39)16-13-29-12-11-28-7-5-8-31(33(28)34-29)37-24-22-36(23-25-37)21-17-27-9-14-30(15-10-27)40-26-6-20-35-18-3-1-2-4-19-35/h5,7-16H,1-4,6,17-26H2,(H,38,39)/b16-13+
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Article
PubMed
200n/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