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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 = 'BDBM50383131'   
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))
BDBM50383131
PNG
(CHEMBL2031754)
Show SMILES Fc1cc(F)cc(c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
Show InChI InChI=1S/C21H22F2N2O/c22-18-12-17(13-19(23)14-18)15-3-4-20-16(11-15)5-8-25(21(20)26)10-9-24-6-1-2-7-24/h3-4,11-14H,1-2,5-10H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting


J Med Chem 55: 2452-68 (2012)


Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50383131
PNG
(CHEMBL2031754)
Show SMILES Fc1cc(F)cc(c1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1
Show InChI InChI=1S/C21H22F2N2O/c22-18-12-17(13-19(23)14-18)15-3-4-20-16(11-15)5-8-25(21(20)26)10-9-24-6-1-2-7-24/h3-4,11-14H,1-2,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
146n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from rat H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting


J Med Chem 55: 2452-68 (2012)


Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR
More data for this
Ligand-Target Pair