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SMILES: O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2oc(CCN3CCCCCC3)cc2c1

InChI Key: InChIKey=DCLOKKGTZFTADV-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50139385   
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))
BDBM50139385
PNG
(CHEMBL346562 | {4-[2-(2-Azepan-1-yl-ethyl)-benzofu...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2oc(CCN3CCCCCC3)cc2c1
Show InChI InChI=1S/C27H32N2O3/c30-27(29-15-17-31-18-16-29)22-7-5-21(6-8-22)23-9-10-26-24(19-23)20-25(32-26)11-14-28-12-3-1-2-4-13-28/h5-10,19-20H,1-4,11-18H2
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PubMed
3.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50139385
PNG
(CHEMBL346562 | {4-[2-(2-Azepan-1-yl-ethyl)-benzofu...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2oc(CCN3CCCCCC3)cc2c1
Show InChI InChI=1S/C27H32N2O3/c30-27(29-15-17-31-18-16-29)22-7-5-21(6-8-22)23-9-10-26-24(19-23)20-25(32-26)11-14-28-12-3-1-2-4-13-28/h5-10,19-20H,1-4,11-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from cloned human histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139385
PNG
(CHEMBL346562 | {4-[2-(2-Azepan-1-yl-ethyl)-benzofu...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2oc(CCN3CCCCCC3)cc2c1
Show InChI InChI=1S/C27H32N2O3/c30-27(29-15-17-31-18-16-29)22-7-5-21(6-8-22)23-9-10-26-24(19-23)20-25(32-26)11-14-28-12-3-1-2-4-13-28/h5-10,19-20H,1-4,11-18H2
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139385
PNG
(CHEMBL346562 | {4-[2-(2-Azepan-1-yl-ethyl)-benzofu...)
Show SMILES O=C(N1CCOCC1)c1ccc(cc1)-c1ccc2oc(CCN3CCCCCC3)cc2c1
Show InChI InChI=1S/C27H32N2O3/c30-27(29-15-17-31-18-16-29)22-7-5-21(6-8-22)23-9-10-26-24(19-23)20-25(32-26)11-14-28-12-3-1-2-4-13-28/h5-10,19-20H,1-4,11-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency was determined by displacement of [3H]-N-alpha-methyl histamine from histamine H3 receptor of rat cortical membranes


Bioorg Med Chem Lett 14: 689-93 (2004)


BindingDB Entry DOI: 10.7270/Q20C4V5H
More data for this
Ligand-Target Pair