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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H1 Receptor' and Monomerid = 50227107   
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))
BDBM50227107
PNG
(2-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-ylamino...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)ccc1OC
Show InChI InChI=1S/C22H28N4O5S/c1-3-30-21-12-15(4-6-20(21)29-2)14-26-10-8-16(9-11-26)24-22-25-18-13-17(32(23,27)28)5-7-19(18)31-22/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,24,25)(H2,23,27,28)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
520n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair