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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50343586'   
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))
BDBM50343586
PNG
((E)-2-(11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-te...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2/c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C29H32N4O5/c1-30-26(18-27(34)31(2)29(30)37)33-14-12-32(13-15-33)11-5-8-23-22-7-4-3-6-21(22)19-38-25-10-9-20(16-24(23)25)17-28(35)36/h3-4,6-10,16,18H,5,11-15,17,19H2,1-2H3,(H,35,36)/b23-8+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair