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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50364957'   
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))
BDBM50364957
PNG
(CHEMBL1950643)
Show SMILES O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C19H23N3O2/c23-19-9-8-18(20-21-19)14-4-6-16(7-5-14)24-17-10-12-22(13-11-17)15-2-1-3-15/h4-9,15,17H,1-3,10-13H2,(H,21,23)
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Article
PubMed
1.90n/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


Bioorg Med Chem Lett 22: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50364957
PNG
(CHEMBL1950643)
Show SMILES O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C19H23N3O2/c23-19-9-8-18(20-21-19)14-4-6-16(7-5-14)24-17-10-12-22(13-11-17)15-2-1-3-15/h4-9,15,17H,1-3,10-13H2,(H,21,23)
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Article
PubMed
2.20n/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 cells


Bioorg Med Chem Lett 22: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50364957
PNG
(CHEMBL1950643)
Show SMILES O=c1ccc(n[nH]1)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C19H23N3O2/c23-19-9-8-18(20-21-19)14-4-6-16(7-5-14)24-17-10-12-22(13-11-17)15-2-1-3-15/h4-9,15,17H,1-3,10-13H2,(H,21,23)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 22: 1504-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.026
BindingDB Entry DOI: 10.7270/Q2W37WSF
More data for this
Ligand-Target Pair