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SMILES: CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)N)cc1

InChI Key: InChIKey=CGDJUGZQGOTFLF-GOSISDBHSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50220467   
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))
BDBM50220467
PNG
(CHEMBL62421)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)N)cc1
Show InChI InChI=1S/C22H35N3O3/c1-3-4-5-7-21(26)19-8-10-20(11-9-19)28-17-6-12-24-13-15-25(16-14-24)22(27)18(2)23/h8-11,18H,3-7,12-17,23H2,1-2H3/t18-/m1/s1
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Similars

PubMed
1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50220467
PNG
(CHEMBL62421)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)N)cc1
Show InChI InChI=1S/C22H35N3O3/c1-3-4-5-7-21(26)19-8-10-20(11-9-19)28-17-6-12-24-13-15-25(16-14-24)22(27)18(2)23/h8-11,18H,3-7,12-17,23H2,1-2H3/t18-/m1/s1
PDB

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PubMed
3.55E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H1 receptor of human membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50220467
PNG
(CHEMBL62421)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)N)cc1
Show InChI InChI=1S/C22H35N3O3/c1-3-4-5-7-21(26)19-8-10-20(11-9-19)28-17-6-12-24-13-15-25(16-14-24)22(27)18(2)23/h8-11,18H,3-7,12-17,23H2,1-2H3/t18-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.07E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H2 receptor from human membranes


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair