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PubMed code 16616493

Compile data set for download or QSAR
Found 14 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 receptor (H3)


(Homo sapiens (Human))
BDBM50185376
PNG
((S)-benzo[b]thiophen-2-yl(2-(pyrrolidin-1-ylmethyl...)
Show SMILES O=C(N1CCC[C@H]1CN1CCCC1)c1cc2ccccc2s1
Show InChI InChI=1S/C18H22N2OS/c21-18(17-12-14-6-1-2-8-16(14)22-17)20-11-5-7-15(20)13-19-9-3-4-10-19/h1-2,6,8,12,15H,3-5,7,9-11,13H2/t15-/m0/s1
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4n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185383
PNG
((S)-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)(5-(...)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C19H21F3N2O2/c20-19(21,22)14-5-6-16-13(10-14)11-17(26-16)18(25)24-9-3-4-15(24)12-23-7-1-2-8-23/h5-6,10-11,15H,1-4,7-9,12H2/t15-/m0/s1
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4n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185371
PNG
((S)-(5-chlorobenzofuran-2-yl)(2-(pyrrolidin-1-ylme...)
Show SMILES Clc1ccc2oc(cc2c1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C18H21ClN2O2/c19-14-5-6-16-13(10-14)11-17(23-16)18(22)21-9-3-4-15(21)12-20-7-1-2-8-20/h5-6,10-11,15H,1-4,7-9,12H2/t15-/m0/s1
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5n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185378
PNG
((S)-2-(2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carb...)
Show SMILES O=C(N1CCC[C@H]1CN1CCCC1)c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C19H21N3O2/c20-12-14-5-6-17-15(10-14)11-18(24-17)19(23)22-9-3-4-16(22)13-21-7-1-2-8-21/h5-6,10-11,16H,1-4,7-9,13H2/t16-/m0/s1
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5n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185370
PNG
((S)-(2-(piperidin-1-ylmethyl)pyrrolidin-1-yl)(5-(t...)
Show SMILES FC(F)(F)c1ccc2oc(cc2c1)C(=O)N1CCC[C@H]1CN1CCCCC1
Show InChI InChI=1S/C20H23F3N2O2/c21-20(22,23)15-6-7-17-14(11-15)12-18(27-17)19(26)25-10-4-5-16(25)13-24-8-2-1-3-9-24/h6-7,11-12,16H,1-5,8-10,13H2/t16-/m0/s1
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7n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185382
PNG
((S)-(7-ethoxybenzofuran-2-yl)(2-(pyrrolidin-1-ylme...)
Show SMILES CCOc1cccc2cc(oc12)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C20H26N2O3/c1-2-24-17-9-5-7-15-13-18(25-19(15)17)20(23)22-12-6-8-16(22)14-21-10-3-4-11-21/h5,7,9,13,16H,2-4,6,8,10-12,14H2,1H3/t16-/m0/s1
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7n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185377
PNG
((S)-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)(5-(...)
Show SMILES FC(F)(F)Oc1ccc2oc(cc2c1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C19H21F3N2O3/c20-19(21,22)27-15-5-6-16-13(10-15)11-17(26-16)18(25)24-9-3-4-14(24)12-23-7-1-2-8-23/h5-6,10-11,14H,1-4,7-9,12H2/t14-/m0/s1
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11n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185381
PNG
((S)-(3-chlorobenzo[b]thiophen-2-yl)(2-(pyrrolidin-...)
Show SMILES Clc1c(sc2ccccc12)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C18H21ClN2OS/c19-16-14-7-1-2-8-15(14)23-17(16)18(22)21-11-5-6-13(21)12-20-9-3-4-10-20/h1-2,7-8,13H,3-6,9-12H2/t13-/m0/s1
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12n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185372
PNG
((S)-(2-((diethylamino)methyl)pyrrolidin-1-yl)(5-(t...)
Show SMILES CCN(CC)C[C@@H]1CCCN1C(=O)c1cc2cc(ccc2o1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N2O2/c1-3-23(4-2)12-15-6-5-9-24(15)18(25)17-11-13-10-14(19(20,21)22)7-8-16(13)26-17/h7-8,10-11,15H,3-6,9,12H2,1-2H3/t15-/m0/s1
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14n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185380
PNG
((S)-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)(6-(...)
Show SMILES FC(F)(F)c1ccc2cc(oc2c1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C19H21F3N2O2/c20-19(21,22)14-6-5-13-10-17(26-16(13)11-14)18(25)24-9-3-4-15(24)12-23-7-1-2-8-23/h5-6,10-11,15H,1-4,7-9,12H2/t15-/m0/s1
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15n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185375
PNG
((S)-(2-(piperidin-1-ylmethyl)pyrrolidin-1-yl)(6-(t...)
Show SMILES FC(F)(F)c1ccc2cc(oc2c1)C(=O)N1CCC[C@H]1CN1CCCCC1
Show InChI InChI=1S/C20H23F3N2O2/c21-20(22,23)15-7-6-14-11-18(27-17(14)12-15)19(26)25-10-4-5-16(25)13-24-8-2-1-3-9-24/h6-7,11-12,16H,1-5,8-10,13H2/t16-/m0/s1
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22n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185374
PNG
((S)-(2-((diethylamino)methyl)pyrrolidin-1-yl)(6-(t...)
Show SMILES CCN(CC)C[C@@H]1CCCN1C(=O)c1cc2ccc(cc2o1)C(F)(F)F
Show InChI InChI=1S/C19H23F3N2O2/c1-3-23(4-2)12-15-6-5-9-24(15)18(25)17-10-13-7-8-14(19(20,21)22)11-16(13)26-17/h7-8,10-11,15H,3-6,9,12H2,1-2H3/t15-/m0/s1
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46n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185373
PNG
((S)-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)(qui...)
Show SMILES O=C(N1CCC[C@H]1CN1CCCC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C19H23N3O/c23-19(16-12-15-6-1-2-8-18(15)20-13-16)22-11-5-7-17(22)14-21-9-3-4-10-21/h1-2,6,8,12-13,17H,3-5,7,9-11,14H2/t17-/m0/s1
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>150n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50185379
PNG
((S)-(2-(piperidin-1-ylmethyl)pyrrolidin-1-yl)(quin...)
Show SMILES O=C(N1CCC[C@H]1CN1CCCCC1)c1cnc2ccccc2c1
Show InChI InChI=1S/C20H25N3O/c24-20(17-13-16-7-2-3-9-19(16)21-14-17)23-12-6-8-18(23)15-22-10-4-1-5-11-22/h2-3,7,9,13-14,18H,1,4-6,8,10-12,15H2/t18-/m0/s1
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>150n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor by [35S]GTPgammaS assay


Bioorg Med Chem Lett 16: 3162-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.074
BindingDB Entry DOI: 10.7270/Q2T1537P
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%