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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 = 'BDBM50327496'   
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))
BDBM50327496
PNG
(8-(1-isopropylpiperidin-4-yloxy)-2-(2,2,2-trifluor...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(CC(F)(F)F)C(=O)c3cc2c1
Show InChI InChI=1S/C21H26F3N3O2/c1-14(2)25-7-5-16(6-8-25)29-17-3-4-18-15(11-17)12-19-20(28)26(9-10-27(18)19)13-21(22,23)24/h3-4,11-12,14,16H,5-10,13H2,1-2H3
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
34n/an/an/an/an/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50327496
PNG
(8-(1-isopropylpiperidin-4-yloxy)-2-(2,2,2-trifluor...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(CC(F)(F)F)C(=O)c3cc2c1
Show InChI InChI=1S/C21H26F3N3O2/c1-14(2)25-7-5-16(6-8-25)29-17-3-4-18-15(11-17)12-19-20(28)26(9-10-27(18)19)13-21(22,23)24/h3-4,11-12,14,16H,5-10,13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 40n/an/an/an/a



F Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at human recombinant histamine H3 receptor assessed as effect on [35S]GTPgammaS binding


Bioorg Med Chem Lett 20: 5713-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.009
BindingDB Entry DOI: 10.7270/Q2571C7N
More data for this
Ligand-Target Pair