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BDBM50217581 4-(4-(1-isopropylpiperidin-4-yloxy)benzyl)morpholine::4-[4-(1-Isopropyl-piperidin-4-yloxy)-benzyl]-morpholine::CHEMBL194092

SMILES: CC(C)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=AYEMHSJPBSPTSA-UHFFFAOYSA-N

Data: 4 KI  1 Kd

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 5 hits for monomerid = 50217581   
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))
BDBM50217581
PNG
(4-(4-(1-isopropylpiperidin-4-yloxy)benzyl)morpholi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H30N2O2/c1-16(2)21-9-7-19(8-10-21)23-18-5-3-17(4-6-18)15-20-11-13-22-14-12-20/h3-6,16,19H,7-15H2,1-2H3
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Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 17: 4799-803 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.061
BindingDB Entry DOI: 10.7270/Q2F18ZFF
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217581
PNG
(4-(4-(1-isopropylpiperidin-4-yloxy)benzyl)morpholi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H30N2O2/c1-16(2)21-9-7-19(8-10-21)23-18-5-3-17(4-6-18)15-20-11-13-22-14-12-20/h3-6,16,19H,7-15H2,1-2H3
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Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation co...


Bioorg Med Chem Lett 20: 6226-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.103
BindingDB Entry DOI: 10.7270/Q2CF9QB3
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217581
PNG
(4-(4-(1-isopropylpiperidin-4-yloxy)benzyl)morpholi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H30N2O2/c1-16(2)21-9-7-19(8-10-21)23-18-5-3-17(4-6-18)15-20-11-13-22-14-12-20/h3-6,16,19H,7-15H2,1-2H3
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Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Eur J Med Chem 44: 4413-25 (2009)


Article DOI: 10.1016/j.ejmech.2009.06.007
BindingDB Entry DOI: 10.7270/Q28S4Q7C
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217581
PNG
(4-(4-(1-isopropylpiperidin-4-yloxy)benzyl)morpholi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H30N2O2/c1-16(2)21-9-7-19(8-10-21)23-18-5-3-17(4-6-18)15-20-11-13-22-14-12-20/h3-6,16,19H,7-15H2,1-2H3
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Article
PubMed
2.14n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Mean binding affinity for human H3 receptor


J Med Chem 48: 2229-38 (2005)


Article DOI: 10.1021/jm049212n
BindingDB Entry DOI: 10.7270/Q2GB258T
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217581
PNG
(4-(4-(1-isopropylpiperidin-4-yloxy)benzyl)morpholi...)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C19H30N2O2/c1-16(2)21-9-7-19(8-10-21)23-18-5-3-17(4-6-18)15-20-11-13-22-14-12-20/h3-6,16,19H,7-15H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
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PC sid
UniChem

Patents


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Article
PubMed
n/an/an/a 0.479n/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Mean functional activity against human H3 receptor


J Med Chem 48: 2229-38 (2005)


Article DOI: 10.1021/jm049212n
BindingDB Entry DOI: 10.7270/Q2GB258T
More data for this
Ligand-Target Pair