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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50419322'   
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 H1 receptor


(Homo sapiens (Human))
BDBM50419322
PNG
(CHEMBL1910386)
Show SMILES Fc1ccc(Cn2c(NC3CCN(CCN4CCN(CC4)C(=O)c4cc5ccccc5[nH]4)CC3)nc3ccccc23)cc1
Show InChI InChI=1S/C34H38FN7O/c35-27-11-9-25(10-12-27)24-42-32-8-4-3-7-30(32)38-34(42)36-28-13-15-39(16-14-28)17-18-40-19-21-41(22-20-40)33(43)31-23-26-5-1-2-6-29(26)37-31/h1-12,23,28,37H,13-22,24H2,(H,36,38)
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PC cid
PC sid
UniChem
Article
PubMed
5.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human H1R expressed in Sf9 cells co-expressing RGS4 after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 6274-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.001
BindingDB Entry DOI: 10.7270/Q28K7BB7
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50419322
PNG
(CHEMBL1910386)
Show SMILES Fc1ccc(Cn2c(NC3CCN(CCN4CCN(CC4)C(=O)c4cc5ccccc5[nH]4)CC3)nc3ccccc23)cc1
Show InChI InChI=1S/C34H38FN7O/c35-27-11-9-25(10-12-27)24-42-32-8-4-3-7-30(32)38-34(42)36-28-13-15-39(16-14-28)17-18-40-19-21-41(22-20-40)33(43)31-23-26-5-1-2-6-29(26)37-31/h1-12,23,28,37H,13-22,24H2,(H,36,38)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 3.80n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at H1R in guinea pig ileum assessed as inhibition of histamine-induced muscle contraction after 15 mins


Bioorg Med Chem Lett 21: 6274-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.001
BindingDB Entry DOI: 10.7270/Q28K7BB7
More data for this
Ligand-Target Pair