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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50435344'   
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))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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PC cid
PC sid
UniChem
PubMed
501n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
936n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting an...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.26E+3n/an/an/an/an/an/an/an/a



UCL School of Pharmacy

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting an...


Bioorg Med Chem Lett 23: 3411-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.066
BindingDB Entry DOI: 10.7270/Q2474C7G
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50435344
PNG
(CHEMBL2391541)
Show SMILES COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Show InChI InChI=1S/C17H22N2O/c1-4-9-19(10-5-2)11-8-14-13-18-17-7-6-15(20-3)12-16(14)17/h4-7,12-13,18H,1-2,8-11H2,3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



The Alexander Shulgin Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin) by competition binding assay


Bioorg Med Chem Lett 26: 959-64 (2016)


BindingDB Entry DOI: 10.7270/Q24F1SKV
More data for this
Ligand-Target Pair