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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 = 'BDBM50401006'   
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


(Rattus norvegicus (rat))
BDBM50401006
PNG
(CHEMBL2206289)
Show SMILES C(Oc1ncccn1)[C@H]1C[C@@H](C1)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C20H25N3O/c1-2-11-23(10-1)14-16-4-6-18(7-5-16)19-12-17(13-19)15-24-20-21-8-3-9-22-20/h3-9,17,19H,1-2,10-15H2/t17-,19-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
79n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat histone H3 receptor expressed in human HEK293 cells assessed as inhibition of forskolin-induced cAMP release pretreated 10...


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50401006
PNG
(CHEMBL2206289)
Show SMILES C(Oc1ncccn1)[C@H]1C[C@@H](C1)c1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C20H25N3O/c1-2-11-23(10-1)14-16-4-6-18(7-5-16)19-12-17(13-19)15-24-20-21-8-3-9-22-20/h3-9,17,19H,1-2,10-15H2/t17-,19-
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
82n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-n-alpha-methylhistamine from rat histone H3 receptor homogenate after 60 mins by scintillation counting


J Med Chem 54: 7602-20 (2011)


Article DOI: 10.1021/jm200939b
BindingDB Entry DOI: 10.7270/Q27D2W9G
More data for this
Ligand-Target Pair