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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 = 'BDBM50384406'   
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))
BDBM50384406
PNG
(CHEMBL2031476)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3n[nH]c(=O)cc-23)c1 |r|
Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-16-6-7-17-15(12-16)5-8-19-18(17)13-20(24)22-21-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,24)/t14-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
6.20n/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 cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384406
PNG
(CHEMBL2031476)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3n[nH]c(=O)cc-23)c1 |r|
Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-16-6-7-17-15(12-16)5-8-19-18(17)13-20(24)22-21-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,24)/t14-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair