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BDBM50217408 CHEMBL106545

SMILES: CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1

InChI Key: InChIKey=HWYZEJDWSUNZPS-HXUWFJFHSA-N

Data: 4 KI

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 4 hits for monomerid = 50217408   
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))
BDBM50217408
PNG
(CHEMBL106545)
Show SMILES CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H25N3O/c1-23-20-11-13-24(16-20)12-2-14-25-21-9-7-19(8-10-21)18-5-3-17(15-22)4-6-18/h3-10,20,23H,2,11-14,16H2,1H3/t20-/m1/s1
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PubMed
8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217408
PNG
(CHEMBL106545)
Show SMILES CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H25N3O/c1-23-20-11-13-24(16-20)12-2-14-25-21-9-7-19(8-10-21)18-5-3-17(15-22)4-6-18/h3-10,20,23H,2,11-14,16H2,1H3/t20-/m1/s1
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

PubMed
30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50217408
PNG
(CHEMBL106545)
Show SMILES CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H25N3O/c1-23-20-11-13-24(16-20)12-2-14-25-21-9-7-19(8-10-21)18-5-3-17(15-22)4-6-18/h3-10,20,23H,2,11-14,16H2,1H3/t20-/m1/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem

Similars

PubMed
3.72E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of human cortical histamine H1 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50217408
PNG
(CHEMBL106545)
Show SMILES CN[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C21H25N3O/c1-23-20-11-13-24(16-20)12-2-14-25-21-9-7-19(8-10-21)18-5-3-17(15-22)4-6-18/h3-10,20,23H,2,11-14,16H2,1H3/t20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human cortical histamine H2 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair