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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 = 'BDBM50315200'   
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))
BDBM50315200
PNG
(2-(6-fluoro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl...)
Show SMILES CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1 |c:5|
Show InChI InChI=1S/C18H20FN3/c1-22(2)9-7-13-10-14-11-15(19)5-6-17(14)18(13)12-16-4-3-8-20-21-16/h3-6,8,11H,7,9-10,12H2,1-2H3
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PC sid
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Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 20: 5874-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.117
BindingDB Entry DOI: 10.7270/Q26W9BDC
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50315200
PNG
(2-(6-fluoro-3-(pyridazin-3-ylmethyl)-1H-inden-2-yl...)
Show SMILES CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1 |c:5|
Show InChI InChI=1S/C18H20FN3/c1-22(2)9-7-13-10-14-11-15(19)5-6-17(14)18(13)12-16-4-3-8-20-21-16/h3-6,8,11H,7,9-10,12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Binding affinity at histamine H1 receptor


Bioorg Med Chem Lett 20: 2629-33 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.055
BindingDB Entry DOI: 10.7270/Q2NG4QSV
More data for this
Ligand-Target Pair