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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50268997'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50268997
PNG
((4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-9-5-17(6-10-26)29-18-3-4-19-16(13-18)14-20(25-19)21(28)27-11-7-22(23,24)8-12-27/h3-4,13-15,17,25H,5-12H2,1-2H3
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50268997
PNG
((4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-9-5-17(6-10-26)29-18-3-4-19-16(13-18)14-20(25-19)21(28)27-11-7-22(23,24)8-12-27/h3-4,13-15,17,25H,5-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4n/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor expressed in CHO cells by GTPgamma[35S] binding assay


J Med Chem 52: 3855-68 (2009)


Article DOI: 10.1021/jm900409x
BindingDB Entry DOI: 10.7270/Q2SB46NQ
More data for this
Ligand-Target Pair