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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50360983'   
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 H3 receptor


(Homo sapiens (Human))
BDBM50360983
PNG
(CHEMBL1935410)
Show SMILES CC[C@H](O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 |r|
Show InChI InChI=1S/C21H31NO3/c1-2-18(23)15-24-19-6-7-20-16(14-19)8-9-21(25-20)10-12-22(13-11-21)17-4-3-5-17/h6-7,14,17-18,23H,2-5,8-13,15H2,1H3/t18-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50360983
PNG
(CHEMBL1935410)
Show SMILES CC[C@H](O)COc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1 |r|
Show InChI InChI=1S/C21H31NO3/c1-2-18(23)15-24-19-6-7-20-16(14-19)8-9-21(25-20)10-12-22(13-11-21)17-4-3-5-17/h6-7,14,17-18,23H,2-5,8-13,15H2,1H3/t18-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
112n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem Lett 22: 186-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.038
BindingDB Entry DOI: 10.7270/Q2NS0VB8
More data for this
Ligand-Target Pair