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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 = 'BDBM50019643'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50019643
PNG
(2-(4-Butyl-[1,4]diazepan-1-yl)-1-(2-ethoxy-ethyl)-...)
Show SMILES CCCCN1CCCN(CC1)c1nc2ccccc2n1CCOCC
Show InChI InChI=1S/C20H32N4O/c1-3-5-11-22-12-8-13-23(15-14-22)20-21-18-9-6-7-10-19(18)24(20)16-17-25-4-2/h6-7,9-10H,3-5,8,11-17H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of histamine-induced contractions in guinea pig ileum


J Med Chem 29: 1178-83 (1987)


Article DOI: 10.1021/jm00157a010
BindingDB Entry DOI: 10.7270/Q2QR4XPC
More data for this
Ligand-Target Pair