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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50205369   
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))
BDBM50205369
PNG
(CHEMBL3907368)
Show SMILES OC(=O)CCc1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
Show InChI InChI=1S/C33H44N4O3/c38-32(39)14-11-28-25-29-7-5-8-31(33(29)34-26-28)37-22-20-36(21-23-37)19-15-27-9-12-30(13-10-27)40-24-6-18-35-16-3-1-2-4-17-35/h5,7-10,12-13,25-26H,1-4,6,11,14-24H2,(H,38,39)
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PubMed
1.30n/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))
BDBM50205369
PNG
(CHEMBL3907368)
Show SMILES OC(=O)CCc1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
Show InChI InChI=1S/C33H44N4O3/c38-32(39)14-11-28-25-29-7-5-8-31(33(29)34-26-28)37-22-20-36(21-23-37)19-15-27-9-12-30(13-10-27)40-24-6-18-35-16-3-1-2-4-17-35/h5,7-10,12-13,25-26H,1-4,6,11,14-24H2,(H,38,39)
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PubMed
40n/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))
BDBM50205369
PNG
(CHEMBL3907368)
Show SMILES OC(=O)CCc1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
Show InChI InChI=1S/C33H44N4O3/c38-32(39)14-11-28-25-29-7-5-8-31(33(29)34-26-28)37-22-20-36(21-23-37)19-15-27-9-12-30(13-10-27)40-24-6-18-35-16-3-1-2-4-17-35/h5,7-10,12-13,25-26H,1-4,6,11,14-24H2,(H,38,39)
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PubMed
<2.00E+3n/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))
BDBM50205369
PNG
(CHEMBL3907368)
Show SMILES OC(=O)CCc1cnc2c(cccc2c1)N1CCN(CCc2ccc(OCCCN3CCCCCC3)cc2)CC1
Show InChI InChI=1S/C33H44N4O3/c38-32(39)14-11-28-25-29-7-5-8-31(33(29)34-26-28)37-22-20-36(21-23-37)19-15-27-9-12-30(13-10-27)40-24-6-18-35-16-3-1-2-4-17-35/h5,7-10,12-13,25-26H,1-4,6,11,14-24H2,(H,38,39)
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Article
PubMed
<2.00E+3n/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