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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 = 'BDBM50156893'   
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))
BDBM50156893
PNG
(2-(2-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperid...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C27H34N2O5/c1-3-33-16-15-29-19-24(22-6-4-5-7-25(22)29)20-10-12-28(13-11-20)14-17-34-26-18-21(32-2)8-9-23(26)27(30)31/h4-9,18-20H,3,10-17H2,1-2H3,(H,30,31)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 34n/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))
BDBM50156893
PNG
(2-(2-{4-[1-(2-Ethoxy-ethyl)-1H-indol-3-yl]-piperid...)
Show SMILES CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C27H34N2O5/c1-3-33-16-15-29-19-24(22-6-4-5-7-25(22)29)20-10-12-28(13-11-20)14-17-34-26-18-21(32-2)8-9-23(26)27(30)31/h4-9,18-20H,3,10-17H2,1-2H3,(H,30,31)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 185n/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