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BDBM50205361 CHEMBL3893197

SMILES: C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12

InChI Key:

Data: 4 KI  1 IC50

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 = 50205361   
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))
BDBM50205361
PNG
(CHEMBL3893197)
Show SMILES C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
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UniProtKB/SwissProt

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Article
PubMed
0.631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human Histamine H3 receptor expressed in CHO cell membranes assessed as inhibition of histamine-induced [35S]GTPgammaS binding...


Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50205361
PNG
(CHEMBL3893197)
Show SMILES C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

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Article
PubMed
16n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human Histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced calcium flux preincubated for 3...


Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50205361
PNG
(CHEMBL3893197)
Show SMILES C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
50n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1B receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...


Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50205361
PNG
(CHEMBL3893197)
Show SMILES C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
79n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at adrenergic alpha1A receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...


Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50205361
PNG
(CHEMBL3893197)
Show SMILES C(CCc1ccc(OCCCN2CCCCCC2)cc1)CN1CCN(CC1)c1cccc2cccnc12
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-dofetilide from human ERG expressed in CHOK1 cell membranes incubated for 4 hrs in dark by luminescent assay


Bioorg Med Chem Lett 26: 5855-5859 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.022
BindingDB Entry DOI: 10.7270/Q2DZ0B8Q
More data for this
Ligand-Target Pair