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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50352799'   
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))
BDBM50352799
PNG
(CHEMBL1823403)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
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2.70n/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


(Homo sapiens (Human))
BDBM50352799
PNG
(CHEMBL1823403)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352799
PNG
(CHEMBL1823403)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
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6n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352799
PNG
(CHEMBL1823403)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
6n/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