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BDBM50327495 2-isopropyl-8-(1-isopropylpiperidin-4-yloxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one::CHEMBL1258874

SMILES: CC(C)N1CCC(CC1)Oc1ccc2n3CCN(C(C)C)C(=O)c3cc2c1

InChI Key: InChIKey=SMRRGJLLFFKDID-UHFFFAOYSA-N

Data: 1 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50327495   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50327495
PNG
(2-isopropyl-8-(1-isopropylpiperidin-4-yloxy)-3,4-d...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(C(C)C)C(=O)c3cc2c1
Show InChI InChI=1S/C22H31N3O2/c1-15(2)23-9-7-18(8-10-23)27-19-5-6-20-17(13-19)14-21-22(26)24(16(3)4)11-12-25(20)21/h5-6,13-16,18H,7-12H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
27n/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))
BDBM50327495
PNG
(2-isopropyl-8-(1-isopropylpiperidin-4-yloxy)-3,4-d...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n3CCN(C(C)C)C(=O)c3cc2c1
Show InChI InChI=1S/C22H31N3O2/c1-15(2)23-9-7-18(8-10-23)27-19-5-6-20-17(13-19)14-21-22(26)24(16(3)4)11-12-25(20)21/h5-6,13-16,18H,7-12H2,1-4H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25n/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