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PubMed code 20397706

Compile data set for download or QSAR
Found 7 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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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Article
PubMed
3.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50318106
PNG
((1S,2R)-2-[(1R)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1 |r|
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15+,16-/m0/s1
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Article
PubMed
6.70n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50194203
PNG
((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1
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PubMed
8.40n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50318103
PNG
((1R,2S)-2-[(1R)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1 |r|
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15-,16+/m0/s1
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PubMed
19.8n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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Article
PubMed
51.1n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50318105
PNG
((1S,2R)-2-[(1S)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1 |r|
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15-,16+/m1/s1
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PubMed
63n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50318104
PNG
((1R,2S)-2-[(1S)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1 |r|
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15+,16-/m1/s1
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PubMed
129n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%