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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 = 'BDBM50156873'   
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))
BDBM50156873
PNG
(2-{2-[4-(1-Butyl-1H-indol-3-yl)-piperidin-1-yl]-et...)
Show SMILES CCCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O3/c1-2-3-14-28-19-23(21-8-4-6-10-24(21)28)20-12-15-27(16-13-20)17-18-31-25-11-7-5-9-22(25)26(29)30/h4-11,19-20H,2-3,12-18H2,1H3,(H,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 127n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from histamine H1 receptor in guinea pig cerebellum membranes


J Med Chem 47: 6326-37 (2004)


Article DOI: 10.1021/jm0498203
BindingDB Entry DOI: 10.7270/Q2HM57XC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50156873
PNG
(2-{2-[4-(1-Butyl-1H-indol-3-yl)-piperidin-1-yl]-et...)
Show SMILES CCCCn1cc(C2CCN(CCOc3ccccc3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C26H32N2O3/c1-2-3-14-28-19-23(21-8-4-6-10-24(21)28)20-12-15-27(16-13-20)17-18-31-25-11-7-5-9-22(25)26(29)30/h4-11,19-20H,2-3,12-18H2,1H3,(H,29,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 235n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration against histamine-H1 receptor


Bioorg Med Chem Lett 15: 1165-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.008
BindingDB Entry DOI: 10.7270/Q2HX1C5R
More data for this
Ligand-Target Pair