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PubMed code 18800848

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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Article
PubMed
69n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from human cloned adrenergic alpha2a receptor


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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Article
PubMed
275n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of cloned adrenergic alpha1D receptor (unknown origin)


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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Article
PubMed
1.02E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [125I]-APT from histamine H2 receptor in brain of guinea pig


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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PubMed
1.04E+3n/an/an/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]SMT from histamine H3 receptor in forebrain of rat


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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Article
PubMed
n/an/a 185n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]MK912 from human cloned adrenergic alpha2a receptor


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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Article
PubMed
n/an/a 560n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of cloned adrenergic alpha1D receptor (unknown origin)


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
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Article
PubMed
n/an/a 1.25E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [125I]-APT from histamine H2 receptor in brain of guinea pig


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50253285
PNG
(4-Bromo-N-(3-bromo-4-(3-(dimethylamino)propoxy)phe...)
Show SMILES CN(C)CCCOc1ccc(CCNC(=O)c2cc(Br)c[nH]2)cc1Br
Show InChI InChI=1S/C18H23Br2N3O2/c1-23(2)8-3-9-25-17-5-4-13(10-15(17)20)6-7-21-18(24)16-11-14(19)12-22-16/h4-5,10-12,22H,3,6-9H2,1-2H3,(H,21,24)
PDB

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Article
PubMed
n/an/a 2.35E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Displacement of [3H]SMT from histamine H3 receptor in forebrain of rat


J Nat Prod 71: 1783-6 (2008)


Article DOI: 10.1021/np800339e
BindingDB Entry DOI: 10.7270/Q2QZ29SK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%