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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 = 'BDBM50327472'   
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))
BDBM50327472
PNG
(2-(cyclopropylmethyl)-8-(1-isopropylpiperidin-4-yl...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(CC4CC4)C(=O)c3cc2c1
Show InChI InChI=1S/C23H31N3O2/c1-16(2)24-9-7-19(8-10-24)28-20-5-6-21-18(13-20)14-22-23(27)25(11-12-26(21)22)15-17-3-4-17/h5-6,13-14,16-17,19H,3-4,7-12,15H2,1-2H3
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
9n/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))
BDBM50327472
PNG
(2-(cyclopropylmethyl)-8-(1-isopropylpiperidin-4-yl...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(CC4CC4)C(=O)c3cc2c1
Show InChI InChI=1S/C23H31N3O2/c1-16(2)24-9-7-19(8-10-24)28-20-5-6-21-18(13-20)14-22-23(27)25(11-12-26(21)22)15-17-3-4-17/h5-6,13-14,16-17,19H,3-4,7-12,15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 28n/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