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PubMed code 18952421

Compile data set for download or QSAR
Found 60 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))
BDBM50246381
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3,8-di...)
Show SMILES Cc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-22-23(17)26-24(27(2)25(22)29)18-9-11-20(12-10-18)30-21-13-15-28(16-14-21)19-6-4-7-19/h3,5,8-12,19,21H,4,6-7,13-16H2,1-2H3
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n/an/a 0.100n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246382
PNG
(8-chloro-2-(4-(1-cyclobutylpiperidin-4-yloxy)pheny...)
Show SMILES Cn1c(nc2c(Cl)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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n/an/a 0.180n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246290
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H27N3O2/c1-26-23(25-22-8-3-2-7-21(22)24(26)28)17-9-11-19(12-10-17)29-20-13-15-27(16-14-20)18-5-4-6-18/h2-3,7-12,18,20H,4-6,13-16H2,1H3
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n/an/a 0.220n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246434
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...)
Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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n/an/a 0.25n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246333
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-meth...)
Show SMILES COc1ccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c2c1
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-11-10-21(30-2)16-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
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n/an/a 0.310n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246435
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
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n/an/a 0.310n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246287
PNG
(3-benzyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES O=c1n(Cc2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H31N3O2/c33-29-26-12-5-6-13-27(26)30-28(32(29)22-23-10-3-1-4-11-23)24-14-16-25(17-15-24)34-21-9-20-31-18-7-2-8-19-31/h1,3-6,10-17H,2,7-9,18-22H2
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n/an/a 0.310n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246334
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-7-meth...)
Show SMILES COc1ccc2c(c1)nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-16-21(30-2)10-11-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
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n/an/a 0.340n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246243
PNG
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylqu...)
Show SMILES CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-2-15-28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-19-8-18-27-16-6-3-7-17-27/h4-5,9-14H,2-3,6-8,15-19H2,1H3
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n/an/a 0.470n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246380
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-21(25(27)29)7-4-8-22(23)30-2)17-9-11-19(12-10-17)31-20-13-15-28(16-14-20)18-5-3-6-18/h4,7-12,18,20H,3,5-6,13-16H2,1-2H3
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n/an/a 0.480n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246332
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-5-meth...)
Show SMILES COc1cccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c12
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-21-7-4-8-22(30-2)23(21)25(27)29)17-9-11-19(12-10-17)31-20-13-15-28(16-14-20)18-5-3-6-18/h4,7-12,18,20H,3,5-6,13-16H2,1-2H3
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n/an/a 0.540n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246289
PNG
(3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)q...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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n/an/a 0.680n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246383
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2c(cccc2c1=O)C(F)(F)F)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H26F3N3O2/c1-30-23(29-22-20(24(30)32)6-3-7-21(22)25(26,27)28)16-8-10-18(11-9-16)33-19-12-14-31(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246331
PNG
(2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-met...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3
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n/an/a 0.740n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246244
PNG
(3-isopropyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl...)
Show SMILES CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-19(2)28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-18-8-17-27-15-6-3-7-16-27/h4-5,9-14,19H,3,6-8,15-18H2,1-2H3
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n/an/a 0.870n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246242
PNG
(3-ethyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qui...)
Show SMILES CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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n/an/a 0.870n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246288
PNG
(3-phenyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES O=c1n(-c2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29N3O2/c32-28-25-12-5-6-13-26(25)29-27(31(28)23-10-3-1-4-11-23)22-14-16-24(17-15-22)33-21-9-20-30-18-7-2-8-19-30/h1,3-6,10-17H,2,7-9,18-21H2
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n/an/a 1.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246240
PNG
(2-Methyl-3-(4-{[3-(1-piperidinyl)propyl]oxy}phenyl...)
Show SMILES Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-18-24-22-9-4-3-8-21(22)23(27)26(18)19-10-12-20(13-11-19)28-17-7-16-25-14-5-2-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246287
PNG
(3-benzyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES O=c1n(Cc2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H31N3O2/c33-29-26-12-5-6-13-27(26)30-28(32(29)22-23-10-3-1-4-11-23)24-14-16-25(17-15-24)34-21-9-20-31-18-7-2-8-19-31/h1,3-6,10-17H,2,7-9,18-22H2
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n/an/a 170n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246383
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2c(cccc2c1=O)C(F)(F)F)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H26F3N3O2/c1-30-23(29-22-20(24(30)32)6-3-7-21(22)25(26,27)28)16-8-10-18(11-9-16)33-19-12-14-31(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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n/an/a 350n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246288
PNG
(3-phenyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES O=c1n(-c2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29N3O2/c32-28-25-12-5-6-13-26(25)29-27(31(28)23-10-3-1-4-11-23)22-14-16-24(17-15-22)33-21-9-20-30-18-7-2-8-19-30/h1,3-6,10-17H,2,7-9,18-21H2
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n/an/a 460n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246244
PNG
(3-isopropyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl...)
Show SMILES CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-19(2)28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-18-8-17-27-15-6-3-7-16-27/h4-5,9-14,19H,3,6-8,15-18H2,1-2H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246382
PNG
(8-chloro-2-(4-(1-cyclobutylpiperidin-4-yloxy)pheny...)
Show SMILES Cn1c(nc2c(Cl)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246242
PNG
(3-ethyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qui...)
Show SMILES CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246242
PNG
(3-ethyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qui...)
Show SMILES CCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-27-23(25-22-10-5-4-9-21(22)24(27)28)19-11-13-20(14-12-19)29-18-8-17-26-15-6-3-7-16-26/h4-5,9-14H,2-3,6-8,15-18H2,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246243
PNG
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylqu...)
Show SMILES CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-2-15-28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-19-8-18-27-16-6-3-7-17-27/h4-5,9-14H,2-3,6-8,15-19H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246243
PNG
(2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-3-propylqu...)
Show SMILES CCCn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-2-15-28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-19-8-18-27-16-6-3-7-17-27/h4-5,9-14H,2-3,6-8,15-19H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246381
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3,8-di...)
Show SMILES Cc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-22-23(17)26-24(27(2)25(22)29)18-9-11-20(12-10-18)30-21-13-15-28(16-14-21)19-6-4-7-19/h3,5,8-12,19,21H,4,6-7,13-16H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246289
PNG
(3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)q...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246288
PNG
(3-phenyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES O=c1n(-c2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29N3O2/c32-28-25-12-5-6-13-26(25)29-27(31(28)23-10-3-1-4-11-23)22-14-16-24(17-15-22)33-21-9-20-30-18-7-2-8-19-30/h1,3-6,10-17H,2,7-9,18-21H2
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n/an/a 2.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246331
PNG
(2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-met...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246289
PNG
(3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)q...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246241
PNG
(3-methyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-25-22(24-21-9-4-3-8-20(21)23(25)27)18-10-12-19(13-11-18)28-17-7-16-26-14-5-2-6-15-26/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246244
PNG
(3-isopropyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl...)
Show SMILES CC(C)n1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C25H31N3O2/c1-19(2)28-24(26-23-10-5-4-9-22(23)25(28)29)20-11-13-21(14-12-20)30-18-8-17-27-15-6-3-7-16-27/h4-5,9-14,19H,3,6-8,15-18H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246333
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-meth...)
Show SMILES COc1ccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c2c1
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-11-10-21(30-2)16-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246332
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-5-meth...)
Show SMILES COc1cccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c12
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-21-7-4-8-22(30-2)23(21)25(27)29)17-9-11-19(12-10-17)31-20-13-15-28(16-14-20)18-5-3-6-18/h4,7-12,18,20H,3,5-6,13-16H2,1-2H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246334
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-7-meth...)
Show SMILES COc1ccc2c(c1)nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-16-21(30-2)10-11-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246434
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...)
Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246290
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H27N3O2/c1-26-23(25-22-8-3-2-7-21(22)24(26)28)17-9-11-19(12-10-17)29-20-13-15-27(16-14-20)18-5-4-6-18/h2-3,7-12,18,20H,4-6,13-16H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246333
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-meth...)
Show SMILES COc1ccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c2c1
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-11-10-21(30-2)16-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
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n/an/a 5.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246331
PNG
(2-(4-(1-cyclopentylpiperidin-4-yloxy)phenyl)-3-met...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C25H29N3O2/c1-27-24(26-23-9-5-4-8-22(23)25(27)29)18-10-12-20(13-11-18)30-21-14-16-28(17-15-21)19-6-2-3-7-19/h4-5,8-13,19,21H,2-3,6-7,14-17H2,1H3
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n/an/a 6.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246290
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H27N3O2/c1-26-23(25-22-8-3-2-7-21(22)24(26)28)17-9-11-19(12-10-17)29-20-13-15-27(16-14-20)18-5-4-6-18/h2-3,7-12,18,20H,4-6,13-16H2,1H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246240
PNG
(2-Methyl-3-(4-{[3-(1-piperidinyl)propyl]oxy}phenyl...)
Show SMILES Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-18-24-22-9-4-3-8-21(22)23(27)26(18)19-10-12-20(13-11-19)28-17-7-16-25-14-5-2-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246382
PNG
(8-chloro-2-(4-(1-cyclobutylpiperidin-4-yloxy)pheny...)
Show SMILES Cn1c(nc2c(Cl)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246287
PNG
(3-benzyl-2-(4-(3-(piperidin-1-yl)propoxy)phenyl)qu...)
Show SMILES O=c1n(Cc2ccccc2)c(nc2ccccc12)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H31N3O2/c33-29-26-12-5-6-13-27(26)30-28(32(29)22-23-10-3-1-4-11-23)24-14-16-25(17-15-24)34-21-9-20-31-18-7-2-8-19-31/h1,3-6,10-17H,2,7-9,18-22H2
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n/an/a 7.20E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246434
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-fluo...)
Show SMILES Cn1c(nc2c(F)cccc2c1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-27-23(26-22-20(24(27)29)6-3-7-21(22)25)16-8-10-18(11-9-16)30-19-12-14-28(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246240
PNG
(2-Methyl-3-(4-{[3-(1-piperidinyl)propyl]oxy}phenyl...)
Show SMILES Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-18-24-22-9-4-3-8-21(22)23(27)26(18)19-10-12-20(13-11-19)28-17-7-16-25-14-5-2-6-15-25/h3-4,8-13H,2,5-7,14-17H2,1H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50246435
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human histamine H2 receptor


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246383
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2c(cccc2c1=O)C(F)(F)F)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H26F3N3O2/c1-30-23(29-22-20(24(30)32)6-3-7-21(22)25(26,27)28)16-8-10-18(11-9-16)33-19-12-14-31(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246435
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246435
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246380
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-21(25(27)29)7-4-8-22(23)30-2)17-9-11-19(12-10-17)31-20-13-15-28(16-14-20)18-5-3-6-18/h4,7-12,18,20H,3,5-6,13-16H2,1-2H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50246435
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human histamine H1 receptor


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50246435
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1nccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C24H28N4O3/c1-27-22(26-21-20(24(27)29)10-13-25-23(21)30-2)16-6-8-18(9-7-16)31-19-11-14-28(15-12-19)17-4-3-5-17/h6-10,13,17,19H,3-5,11-12,14-15H2,1-2H3
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Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human histamine H4 receptor


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246334
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-7-meth...)
Show SMILES COc1ccc2c(c1)nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-16-21(30-2)10-11-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246332
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-5-meth...)
Show SMILES COc1cccc2nc(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)n(C)c(=O)c12
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-21-7-4-8-22(30-2)23(21)25(27)29)17-9-11-19(12-10-17)31-20-13-15-28(16-14-20)18-5-3-6-18/h4,7-12,18,20H,3,5-6,13-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50246380
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-8-meth...)
Show SMILES COc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O3/c1-27-24(26-23-21(25(27)29)7-4-8-22(23)30-2)17-9-11-19(12-10-17)31-20-13-15-28(16-14-20)18-5-3-6-18/h4,7-12,18,20H,3,5-6,13-16H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50246381
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3,8-di...)
Show SMILES Cc1cccc2c1nc(-c1ccc(OC3CCN(CC3)C3CCC3)cc1)n(C)c2=O
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-22-23(17)26-24(27(2)25(22)29)18-9-11-20(12-10-18)30-21-13-15-28(16-14-21)19-6-4-7-19/h3,5,8-12,19,21H,4,6-7,13-16H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in LMtk- cells


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%