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BDBM50268294 CHEMBL520148::morpholino(5-(1-(oxetan-3-yl)piperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)methanone

SMILES: FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3COC3)ccc12)C(=O)N1CCOCC1

InChI Key: InChIKey=NALLSZVAKUVBSZ-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50268294   
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


(Rattus norvegicus (rat))
BDBM50268294
PNG
(CHEMBL520148 | morpholino(5-(1-(oxetan-3-yl)piperi...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3COC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)15-29-20-2-1-19(33-18-3-5-27(6-4-18)17-13-32-14-17)11-16(20)12-21(29)22(30)28-7-9-31-10-8-28/h1-2,11-12,17-18H,3-10,13-15H2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/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 rat 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))
BDBM50268294
PNG
(CHEMBL520148 | morpholino(5-(1-(oxetan-3-yl)piperi...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3COC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)15-29-20-2-1-19(33-18-3-5-27(6-4-18)17-13-32-14-17)11-16(20)12-21(29)22(30)28-7-9-31-10-8-28/h1-2,11-12,17-18H,3-10,13-15H2
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
23n/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 H3 receptor


(Homo sapiens (Human))
BDBM50268294
PNG
(CHEMBL520148 | morpholino(5-(1-(oxetan-3-yl)piperi...)
Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3COC3)ccc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C23H28F3N3O4/c24-23(25,26)15-29-20-2-1-19(33-18-3-5-27(6-4-18)17-13-32-14-17)11-16(20)12-21(29)22(30)28-7-9-31-10-8-28/h1-2,11-12,17-18H,3-10,13-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 9n/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