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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 = 'BDBM50343572'   
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))
BDBM50343572
PNG
(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C29H35N5O4/c1-30-26(20-27(35)31(2)29(30)38)33-15-5-13-32(17-18-33)14-6-16-34-24-8-4-3-7-21(24)9-10-22-11-12-23(28(36)37)19-25(22)34/h3-4,7-8,11-12,19-20H,5-6,9-10,13-18H2,1-2H3,(H,36,37)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 70n/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