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PubMed code 18752952

Compile data set for download or QSAR
Found 31 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))
BDBM50264895
PNG
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2
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PubMed
0.100n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in HEK293 cells assessed as reversal of N-alpha-methylhistamine-induced inhibition of fo...


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264895
PNG
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2
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PubMed
1.20n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264934
PNG
(5-fluoro-2-(pyridin-2-yl)-1-(4-(3-(pyrrolidin-1-yl...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C25H25FN4O/c26-19-7-12-24-23(18-19)28-25(22-6-1-2-13-27-22)30(24)20-8-10-21(11-9-20)31-17-5-16-29-14-3-4-15-29/h1-2,6-13,18H,3-5,14-17H2
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1.20n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50264895
PNG
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2
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1.80n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to mouse histamine H3 receptor


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265014
PNG
(1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES OC1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-19-5-10-25-24(18-19)29-26(23-4-1-2-13-28-23)31(25)20-6-8-22(9-7-20)33-17-3-14-30-15-11-21(32)12-16-30/h1-2,4-10,13,18,21,32H,3,11-12,14-17H2
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1.80n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264932
PNG
(1-(4-(3-(4-benzylpiperidin-1-yl)propoxy)phenyl)-5-...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C33H33FN4O/c34-27-10-15-32-31(24-27)36-33(30-9-4-5-18-35-30)38(32)28-11-13-29(14-12-28)39-22-6-19-37-20-16-26(17-21-37)23-25-7-2-1-3-8-25/h1-5,7-15,18,24,26H,6,16-17,19-23H2
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2n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265094
PNG
(2-(ethylthio)-5-fluoro-1-(4-(3-(piperidin-1-yl)pro...)
Show SMILES CCSC1Nc2cc(F)ccc2N1c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H30FN3OS/c1-2-29-23-25-21-17-18(24)7-12-22(21)27(23)19-8-10-20(11-9-19)28-16-6-15-26-13-4-3-5-14-26/h7-12,17,23,25H,2-6,13-16H2,1H3
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2.60n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264897
PNG
(4-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C25H25FN4O2/c26-19-5-10-24-23(18-19)28-25(22-4-1-2-11-27-22)30(24)20-6-8-21(9-7-20)32-15-3-12-29-13-16-31-17-14-29/h1-2,4-11,18H,3,12-17H2
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3.40n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264977
PNG
(5-fluoro-1-(4-(3-(4-methyl-1,4-diazepan-1-yl)propo...)
Show SMILES CN1CCCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
Show InChI InChI=1S/C27H30FN5O/c1-31-14-4-15-32(18-17-31)16-5-19-34-23-10-8-22(9-11-23)33-26-12-7-21(28)20-25(26)30-27(33)24-6-2-3-13-29-24/h2-3,6-13,20H,4-5,14-19H2,1H3
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3.60n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264974
PNG
((S)-5-fluoro-1-(4-(3-(3-isopropylpyrrolidin-1-yl)p...)
Show SMILES CC(C)[C@@H]1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 |r|
Show InChI InChI=1S/C28H31FN4O/c1-20(2)21-13-16-32(19-21)15-5-17-34-24-10-8-23(9-11-24)33-27-12-7-22(29)18-26(27)31-28(33)25-6-3-4-14-30-25/h3-4,6-12,14,18,20-21H,5,13,15-17,19H2,1-2H3/t21-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264935
PNG
(1-(4-(3-((2R,5R)-2,5-dimethylpyrrolidin-1-yl)propo...)
Show SMILES C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-n1c(nc2cc(F)ccc12)-c1ccccn1 |r|
Show InChI InChI=1S/C27H29FN4O/c1-19-7-8-20(2)31(19)16-5-17-33-23-12-10-22(11-13-23)32-26-14-9-21(28)18-25(26)30-27(32)24-6-3-4-15-29-24/h3-4,6,9-15,18-20H,5,7-8,16-17H2,1-2H3/t19-,20-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264976
PNG
(1-(4-(3-(azepan-1-yl)propoxy)phenyl)-5-fluoro-2-(p...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C27H29FN4O/c28-21-9-14-26-25(20-21)30-27(24-8-3-4-15-29-24)32(26)22-10-12-23(13-11-22)33-19-7-18-31-16-5-1-2-6-17-31/h3-4,8-15,20H,1-2,5-7,16-19H2
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5.30n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265093
PNG
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-1...)
Show SMILES Fc1ccc2n(-c3ccc(OCCCN4CCCCC4)cc3)c(=S)[nH]c2c1
Show InChI InChI=1S/C21H24FN3OS/c22-16-5-10-20-19(15-16)23-21(27)25(20)17-6-8-18(9-7-17)26-14-4-13-24-11-2-1-3-12-24/h5-10,15H,1-4,11-14H2,(H,23,27)
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8n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265052
PNG
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-1...)
Show SMILES Fc1ccc2n(-c3ccc(OCCCN4CCCCC4)cc3)c(=O)[nH]c2c1
Show InChI InChI=1S/C21H24FN3O2/c22-16-5-10-20-19(15-16)23-21(26)25(20)17-6-8-18(9-7-17)27-14-4-13-24-11-2-1-3-12-24/h5-10,15H,1-4,11-14H2,(H,23,26)
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8.70n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265050
PNG
(1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES NC(=O)C1CCCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1
Show InChI InChI=1S/C27H28FN5O2/c28-20-7-12-25-24(17-20)31-27(23-6-1-2-13-30-23)33(25)21-8-10-22(11-9-21)35-16-4-15-32-14-3-5-19(18-32)26(29)34/h1-2,6-13,17,19H,3-5,14-16,18H2,(H2,29,34)
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11n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264896
PNG
(1-(4-(3-(3,5-dimethylpiperidin-1-yl)propoxy)phenyl...)
Show SMILES CC1CC(C)CN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1
Show InChI InChI=1S/C28H31FN4O/c1-20-16-21(2)19-32(18-20)14-5-15-34-24-10-8-23(9-11-24)33-27-12-7-22(29)17-26(27)31-28(33)25-6-3-4-13-30-25/h3-4,6-13,17,20-21H,5,14-16,18-19H2,1-2H3
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11n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264933
PNG
(5-fluoro-1-(4-(3-(4-methylpiperazin-1-yl)propoxy)p...)
Show SMILES CN1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
Show InChI InChI=1S/C26H28FN5O/c1-30-14-16-31(17-15-30)13-4-18-33-22-9-7-21(8-10-22)32-25-11-6-20(27)19-24(25)29-26(32)23-5-2-3-12-28-23/h2-3,5-12,19H,4,13-18H2,1H3
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13n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265095
PNG
(2-ethoxy-5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)...)
Show SMILES CCOC1Nc2cc(F)ccc2N1c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H30FN3O2/c1-2-28-23-25-21-17-18(24)7-12-22(21)27(23)19-8-10-20(11-9-19)29-16-6-15-26-13-4-3-5-14-26/h7-12,17,23,25H,2-6,13-16H2,1H3
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15n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265015
PNG
(CHEMBL497575 | methyl 1-(3-(4-(5-fluoro-2-(pyridin...)
Show SMILES COC(=O)C1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
Show InChI InChI=1S/C28H29FN4O3/c1-35-28(34)20-12-16-32(17-13-20)15-4-18-36-23-9-7-22(8-10-23)33-26-11-6-21(29)19-25(26)31-27(33)24-5-2-3-14-30-24/h2-3,5-11,14,19-20H,4,12-13,15-18H2,1H3
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50265014
PNG
(1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES OC1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
Show InChI InChI=1S/C26H27FN4O2/c27-19-5-10-25-24(18-19)29-26(23-4-1-2-13-28-23)31(25)20-6-8-22(9-7-20)33-17-3-14-30-15-11-21(32)12-16-30/h1-2,4-10,13,18,21,32H,3,11-12,14-17H2
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16n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50264975
PNG
(3-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCSC2)cc1
Show InChI InChI=1S/C24H23FN4OS/c25-18-5-10-23-22(16-18)27-24(21-4-1-2-11-26-21)29(23)19-6-8-20(9-7-19)30-14-3-12-28-13-15-31-17-28/h1-2,4-11,16H,3,12-15,17H2
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20n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265049
PNG
(1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES NC(=O)C1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
Show InChI InChI=1S/C27H28FN5O2/c28-20-5-10-25-24(18-20)31-27(23-4-1-2-13-30-23)33(25)21-6-8-22(9-7-21)35-17-3-14-32-15-11-19(12-16-32)26(29)34/h1-2,4-10,13,18-19H,3,11-12,14-17H2,(H2,29,34)
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20n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50264974
PNG
((S)-5-fluoro-1-(4-(3-(3-isopropylpyrrolidin-1-yl)p...)
Show SMILES CC(C)[C@@H]1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 |r|
Show InChI InChI=1S/C28H31FN4O/c1-20(2)21-13-16-32(19-21)15-5-17-34-24-10-8-23(9-11-24)33-27-12-7-22(29)18-26(27)31-28(33)25-6-3-4-14-30-25/h3-4,6-12,14,18,20-21H,5,13,15-17,19H2,1-2H3/t21-/m1/s1
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26n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50264975
PNG
(3-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCSC2)cc1
Show InChI InChI=1S/C24H23FN4OS/c25-18-5-10-23-22(16-18)27-24(21-4-1-2-11-26-21)29(23)19-6-8-20(9-7-19)30-14-3-12-28-13-15-31-17-28/h1-2,4-11,16H,3,12-15,17H2
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42n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50265015
PNG
(CHEMBL497575 | methyl 1-(3-(4-(5-fluoro-2-(pyridin...)
Show SMILES COC(=O)C1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
Show InChI InChI=1S/C28H29FN4O3/c1-35-28(34)20-12-16-32(17-13-20)15-4-18-36-23-9-7-22(8-10-23)33-26-11-6-21(29)19-25(26)31-27(33)24-5-2-3-14-30-24/h2-3,5-11,14,19-20H,4,12-13,15-18H2,1H3
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49n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50264897
PNG
(4-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C25H25FN4O2/c26-19-5-10-24-23(18-19)28-25(22-4-1-2-11-27-22)30(24)20-6-8-21(9-7-20)32-15-3-12-29-13-16-31-17-14-29/h1-2,4-11,18H,3,12-17H2
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62n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50264895
PNG
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2
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70n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50265012
PNG
(2-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C30H27FN4O/c31-24-9-14-29-28(20-24)33-30(27-8-3-4-16-32-27)35(29)25-10-12-26(13-11-25)36-19-5-17-34-18-15-22-6-1-2-7-23(22)21-34/h1-4,6-14,16,20H,5,15,17-19,21H2
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94n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human ERG assessed as rubidium efflux at 5 ug/mL pre-equilibrated for 30 mins by DiBAC4(3)-based flame atomic absorbance spectros...


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265051
PNG
(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazo...)
Show SMILES CNCCCOc1ccc(cc1)-n1c(nc2cc(F)ccc12)-c1ccccn1
Show InChI InChI=1S/C22H21FN4O/c1-24-12-4-14-28-18-9-7-17(8-10-18)27-21-11-6-16(23)15-20(21)26-22(27)19-5-2-3-13-25-19/h2-3,5-11,13,15,24H,4,12,14H2,1H3
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101n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265012
PNG
(2-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCc3ccccc3C2)cc1
Show InChI InChI=1S/C30H27FN4O/c31-24-9-14-29-28(20-24)33-30(27-8-3-4-16-32-27)35(29)25-10-12-26(13-11-25)36-19-5-17-34-18-15-22-6-1-2-7-23(22)21-34/h1-4,6-14,16,20H,5,15,17-19,21H2
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107n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50265013
PNG
(2-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)
Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2Cc3cccc4cccc(C2)c34)cc1
Show InChI InChI=1S/C33H27FN4O/c34-26-11-16-31-30(20-26)36-33(29-10-1-2-17-35-29)38(31)27-12-14-28(15-13-27)39-19-5-18-37-21-24-8-3-6-23-7-4-9-25(22-37)32(23)24/h1-4,6-17,20H,5,18-19,21-22H2
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713n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting


Bioorg Med Chem Lett 18: 5032-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%