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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50350030'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50350030
PNG
(CHEMBL1813060)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1
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PC cid
PC sid
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Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 5493-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.108
BindingDB Entry DOI: 10.7270/Q2KP8359
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50350030
PNG
(CHEMBL1813060)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O2/c1-19-7-5-16-26(19)17-6-18-29-22-12-10-20(11-13-22)23-14-15-24(28)27(25-23)21-8-3-2-4-9-21/h2-4,8-15,19H,5-7,16-18H2,1H3/t19-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


J Med Chem 54: 4781-92 (2011)


Article DOI: 10.1021/jm200401v
BindingDB Entry DOI: 10.7270/Q2W66MRB
More data for this
Ligand-Target Pair