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PubMed code 12182878

Compile data set for download or QSAR
Found 12 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))
BDBM50117898
PNG
(2-(2-Dimethylamino-ethoxy)-fluoren-9-one oxime | C...)
Show SMILES CN(C)CCOc1ccc-2c(c1)C(N=O)c1ccccc-21
Show InChI InChI=1S/C17H18N2O2/c1-19(2)9-10-21-12-7-8-14-13-5-3-4-6-15(13)17(18-20)16(14)11-12/h3-8,11,17H,9-10H2,1-2H3
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PubMed
40n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (human))
BDBM50117887
PNG
(2-(2-Piperidin-1-yl-ethoxy)-fluoren-9-one oxime | ...)
Show SMILES O=NC1c2ccccc2-c2ccc(OCCN3CCCCC3)cc12
Show InChI InChI=1S/C20H22N2O2/c23-21-20-18-7-3-2-6-16(18)17-9-8-15(14-19(17)20)24-13-12-22-10-4-1-5-11-22/h2-3,6-9,14,20H,1,4-5,10-13H2
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45n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117891
PNG
(2-(3-Dimethylamino-propoxy)-fluoren-9-one oxime | ...)
Show SMILES CN(C)CCCOc1ccc-2c(c1)C(N=O)c1ccccc-21
Show InChI InChI=1S/C18H20N2O2/c1-20(2)10-5-11-22-13-8-9-15-14-6-3-4-7-16(14)18(19-21)17(15)12-13/h3-4,6-9,12,18H,5,10-11H2,1-2H3
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48n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117887
PNG
(2-(2-Piperidin-1-yl-ethoxy)-fluoren-9-one oxime | ...)
Show SMILES O=NC1c2ccccc2-c2ccc(OCCN3CCCCC3)cc12
Show InChI InChI=1S/C20H22N2O2/c23-21-20-18-7-3-2-6-16(18)17-9-8-15(14-19(17)20)24-13-12-22-10-4-1-5-11-22/h2-3,6-9,14,20H,1,4-5,10-13H2
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65n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117888
PNG
(2-(2-Pyrrolidin-1-yl-ethoxy)-fluoren-9-one oxime |...)
Show SMILES O=NC1c2ccccc2-c2ccc(OCCN3CCCC3)cc12
Show InChI InChI=1S/C19H20N2O2/c22-20-19-17-6-2-1-5-15(17)16-8-7-14(13-18(16)19)23-12-11-21-9-3-4-10-21/h1-2,5-8,13,19H,3-4,9-12H2
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65n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117890
PNG
(2-(1-Methyl-azepan-3-yloxy)-fluoren-9-one oxime | ...)
Show SMILES CN1CCCCC(C1)Oc1ccc-2c(c1)C(N=O)c1ccccc-21
Show InChI InChI=1S/C20H22N2O2/c1-22-11-5-4-6-15(13-22)24-14-9-10-17-16-7-2-3-8-18(16)20(21-23)19(17)12-14/h2-3,7-10,12,15,20H,4-6,11,13H2,1H3
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110n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117889
PNG
(2-(2-Piperidin-1-yl-ethoxy)-9H-fluoren-9-ol | CHEM...)
Show SMILES OC1c2ccccc2-c2ccc(OCCN3CCCCC3)cc12
Show InChI InChI=1S/C20H23NO2/c22-20-18-7-3-2-6-16(18)17-9-8-15(14-19(17)20)23-13-12-21-10-4-1-5-11-21/h2-3,6-9,14,20,22H,1,4-5,10-13H2
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190n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117897
PNG
(2-[2-(1-Methyl-pyrrolidin-2-yl)-ethoxy]-fluoren-9-...)
Show SMILES CN1CCCC1CCOc1ccc-2c(c1)C(N=O)c1ccccc-21
Show InChI InChI=1S/C20H22N2O2/c1-22-11-4-5-14(22)10-12-24-15-8-9-17-16-6-2-3-7-18(16)20(21-23)19(17)13-15/h2-3,6-9,13-14,20H,4-5,10-12H2,1H3
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310n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117893
PNG
(2-(2-Morpholin-4-yl-ethoxy)-fluoren-9-one oxime | ...)
Show SMILES O=NC1c2ccccc2-c2ccc(OCCN3CCOCC3)cc12
Show InChI InChI=1S/C19H20N2O3/c22-20-19-17-4-2-1-3-15(17)16-6-5-14(13-18(16)19)24-12-9-21-7-10-23-11-8-21/h1-6,13,19H,7-12H2
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325n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117896
PNG
(CHEMBL89623 | [2-(2-Piperidin-1-yl-ethoxy)-9H-fluo...)
Show SMILES OCC1c2ccccc2-c2ccc(OCCN3CCCCC3)cc12
Show InChI InChI=1S/C21H25NO2/c23-15-21-18-7-3-2-6-17(18)19-9-8-16(14-20(19)21)24-13-12-22-10-4-1-5-11-22/h2-3,6-9,14,21,23H,1,4-5,10-13,15H2
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570n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117892
PNG
(CHEMBL92558 | Dimethyl-[2-(2-piperidin-1-yl-ethoxy...)
Show SMILES CN(C)C1c2ccccc2-c2ccc(OCCN3CCCCC3)cc12
Show InChI InChI=1S/C22H28N2O/c1-23(2)22-20-9-5-4-8-18(20)19-11-10-17(16-21(19)22)25-15-14-24-12-6-3-7-13-24/h4-5,8-11,16,22H,3,6-7,12-15H2,1-2H3
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650n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50117894
PNG
(2-(1-Methyl-piperidin-3-ylmethoxy)-fluoren-9-one o...)
Show SMILES CN1CCCC(COc2ccc-3c(c2)C(N=O)c2ccccc-32)C1
Show InChI InChI=1S/C20H22N2O2/c1-22-10-4-5-14(12-22)13-24-15-8-9-17-16-6-2-3-7-18(16)20(21-23)19(17)11-15/h2-3,6-9,11,14,20H,4-5,10,12-13H2,1H3
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920n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity for Histamine H3 receptor


Bioorg Med Chem Lett 12: 2643-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00521-8
BindingDB Entry DOI: 10.7270/Q26Q1WMX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%