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BDBM50268453 (5-(1-isopropylpiperidin-4-yloxy)-2-methyl-1H-indol-3-yl)(morpholino)methanone::CHEMBL496814

SMILES: CC(C)N1CCC(CC1)Oc1ccc2[nH]c(C)c(C(=O)N3CCOCC3)c2c1

InChI Key: InChIKey=QGXYCOWWFZBLQY-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 = 50268453   
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 H3 receptor


(Homo sapiens (Human))
BDBM50268453
PNG
((5-(1-isopropylpiperidin-4-yloxy)-2-methyl-1H-indo...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(C)c(C(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C22H31N3O3/c1-15(2)24-8-6-17(7-9-24)28-18-4-5-20-19(14-18)21(16(3)23-20)22(26)25-10-12-27-13-11-25/h4-5,14-15,17,23H,6-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
86n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

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 H3 receptor


(Homo sapiens (Human))
BDBM50268453
PNG
((5-(1-isopropylpiperidin-4-yloxy)-2-methyl-1H-indo...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(C)c(C(=O)N3CCOCC3)c2c1
Show InChI InChI=1S/C22H31N3O3/c1-15(2)24-8-6-17(7-9-24)28-18-4-5-20-19(14-18)21(16(3)23-20)22(26)25-10-12-27-13-11-25/h4-5,14-15,17,23H,6-13H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 405n/an/an/an/a



F. Hoffmann-La Roche Inc

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