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Compile Data Set for Download or QSAR

Found 258 hits with Last Name = 'ravula' and Initial = 'sb'   
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 H1 receptor


(Homo sapiens (Human))
BDBM50316938
PNG
(1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-1H-b...)
Show SMILES CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361005
PNG
(CHEMBL1935442)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C18H18FN3O/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50316936
PNG
(2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-b...)
Show SMILES CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50316940
PNG
((R)-1-(4-fluorobenzyl)-2-(1-methylpiperidin-3-yl)-...)
Show SMILES CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H22FN3/c1-23-12-4-5-16(14-23)20-22-18-6-2-3-7-19(18)24(20)13-15-8-10-17(21)11-9-15/h2-3,6-11,16H,4-5,12-14H2,1H3/t16-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50360999
PNG
(CHEMBL1935436)
Show SMILES OCCN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C21H24FN3O/c22-18-9-7-16(8-10-18)14-25-20-6-2-1-5-19(20)23-21(25)17-4-3-11-24(15-17)12-13-26/h1-2,5-10,17,26H,3-4,11-15H2
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361004
PNG
(CHEMBL1935441)
Show SMILES Cc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r|
Show InChI InChI=1S/C19H21N3O/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361001
PNG
(CHEMBL1935438)
Show SMILES C(Cn1c(nc2ccccc12)C1CCCNC1)Oc1ccccc1
Show InChI InChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-19-11-5-4-10-18(19)22-20(23)16-7-6-12-21-15-16/h1-5,8-11,16,21H,6-7,12-15H2
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1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361000
PNG
(CHEMBL1935437)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@@H]2CCCNC2)cc1 |r|
Show InChI InChI=1S/C19H20FN3/c20-16-9-7-14(8-10-16)13-23-18-6-2-1-5-17(18)22-19(23)15-4-3-11-21-12-15/h1-2,5-10,15,21H,3-4,11-13H2/t15-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361007
PNG
(CHEMBL1935444)
Show SMILES Cc1ccc(Cn2c(nc3ccccc23)C2CNCCS2)cc1
Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361008
PNG
(CHEMBL1935446)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361009
PNG
(CHEMBL1935447)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361007
PNG
(CHEMBL1935444)
Show SMILES Cc1ccc(Cn2c(nc3ccccc23)C2CNCCS2)cc1
Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361006
PNG
(CHEMBL1935443)
Show SMILES Cc1ccc(Cn2c(nc3ccccc23)C2CNCCO2)cc1C
Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297861
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C26H33FN4O/c1-29(18-21-12-16-32-17-13-21)23-10-14-30(15-11-23)26-28-24-4-2-3-5-25(24)31(26)19-20-6-8-22(27)9-7-20/h2-9,21,23H,10-19H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297861
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C26H33FN4O/c1-29(18-21-12-16-32-17-13-21)23-10-14-30(15-11-23)26-28-24-4-2-3-5-25(24)31(26)19-20-6-8-22(27)9-7-20/h2-9,21,23H,10-19H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361008
PNG
(CHEMBL1935446)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1
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4n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50316921
PNG
((S)-1-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CC[C@@H](C1)N(C)C |r|
Show InChI InChI=1S/C17H26N4O/c1-4-22-12-11-21-16-8-6-5-7-15(16)18-17(21)20-10-9-14(13-20)19(2)3/h5-8,14H,4,9-13H2,1-3H3/t14-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361003
PNG
(CHEMBL1935439)
Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C24H30N4O2/c1-26(2)23(29)18-27-14-8-9-19(17-27)24-25-21-12-6-7-13-22(21)28(24)15-16-30-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3
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4.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50360996
PNG
(CHEMBL1935433)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCCCC3)C2)cc1
Show InChI InChI=1S/C26H31FN4O/c27-22-12-10-20(11-13-22)17-31-24-9-3-2-8-23(24)28-26(31)21-7-6-14-29(18-21)19-25(32)30-15-4-1-5-16-30/h2-3,8-13,21H,1,4-7,14-19H2
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4.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50360994
PNG
(CHEMBL1935431)
Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3
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5.70n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50360995
PNG
(CHEMBL1935432)
Show SMILES CCN(CC)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C25H31FN4O/c1-3-29(4-2)24(31)18-28-15-7-8-20(17-28)25-27-22-9-5-6-10-23(22)30(25)16-19-11-13-21(26)14-12-19/h5-6,9-14,20H,3-4,7-8,15-18H2,1-2H3
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6.30n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297850
PNG
(1-(4-fluorobenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)...)
Show SMILES Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3
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6.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297850
PNG
(1-(4-fluorobenzyl)-2-(4-(4-methyl-1H-pyrazol-1-yl)...)
Show SMILES Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H24FN5/c1-17-14-25-29(15-17)20-10-12-27(13-11-20)23-26-21-4-2-3-5-22(21)28(23)16-18-6-8-19(24)9-7-18/h2-9,14-15,20H,10-13,16H2,1H3
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6.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50360998
PNG
(CHEMBL1935435)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1
Show InChI InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2
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8.10n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50316922
PNG
((R)-1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-y...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-23(2)17-12-13-24(15-17)21-22-19-6-4-5-7-20(19)25(21)14-16-8-10-18(26-3)11-9-16/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50360994
PNG
(CHEMBL1935431)
Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3
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8.90n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361003
PNG
(CHEMBL1935439)
Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C24H30N4O2/c1-26(2)23(29)18-27-14-8-9-19(17-27)24-25-21-12-6-7-13-22(21)28(24)15-16-30-20-10-4-3-5-11-20/h3-7,10-13,19H,8-9,14-18H2,1-2H3
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11.9n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50360998
PNG
(CHEMBL1935435)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1
Show InChI InChI=1S/C23H23FN4O/c24-19-9-7-17(8-10-19)14-28-21-6-2-1-5-20(21)26-23(28)18-4-3-12-27(15-18)16-22-25-11-13-29-22/h1-2,5-11,13,18H,3-4,12,14-16H2
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13.1n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50360997
PNG
(CHEMBL1935434)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(CC(=O)N3CCOCC3)C2)cc1
Show InChI InChI=1S/C25H29FN4O2/c26-21-9-7-19(8-10-21)16-30-23-6-2-1-5-22(23)27-25(30)20-4-3-11-28(17-20)18-24(31)29-12-14-32-15-13-29/h1-2,5-10,20H,3-4,11-18H2
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16.6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361002
PNG
(CHEMBL1935440)
Show SMILES C(Cn1c(nc2ccccc12)C1CCCN(Cc2ncco2)C1)Oc1ccccc1
Show InChI InChI=1S/C24H26N4O2/c1-2-8-20(9-3-1)29-16-14-28-22-11-5-4-10-21(22)26-24(28)19-7-6-13-27(17-19)18-23-25-12-15-30-23/h1-5,8-12,15,19H,6-7,13-14,16-18H2
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24.6n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50316936
PNG
(2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-b...)
Show SMILES CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1
Show InChI InChI=1S/C21H25N3O/c1-23-13-7-8-17(16-23)21-22-19-11-5-6-12-20(19)24(21)14-15-25-18-9-3-2-4-10-18/h2-6,9-12,17H,7-8,13-16H2,1H3
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40n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361007
PNG
(CHEMBL1935444)
Show SMILES Cc1ccc(Cn2c(nc3ccccc23)C2CNCCS2)cc1
Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3
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63n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361009
PNG
(CHEMBL1935447)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
Show InChI InChI=1S/C19H21N3OS/c1-23-15-8-6-14(7-9-15)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-24-18/h2-9,18,20H,10-13H2,1H3/t18-/m1/s1
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92n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361008
PNG
(CHEMBL1935446)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1
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95n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50361008
PNG
(CHEMBL1935446)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1
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230n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50361008
PNG
(CHEMBL1935446)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|
Show InChI InChI=1S/C18H18FN3S/c19-14-7-5-13(6-8-14)12-22-16-4-2-1-3-15(16)21-18(22)17-11-20-9-10-23-17/h1-8,17,20H,9-12H2/t17-/m1/s1
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340n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50361006
PNG
(CHEMBL1935443)
Show SMILES Cc1ccc(Cn2c(nc3ccccc23)C2CNCCO2)cc1C
Show InChI InChI=1S/C20H23N3O/c1-14-7-8-16(11-15(14)2)13-23-18-6-4-3-5-17(18)22-20(23)19-12-21-9-10-24-19/h3-8,11,19,21H,9-10,12-13H2,1-2H3
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365n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Antagonist activity at histamine H1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50361001
PNG
(CHEMBL1935438)
Show SMILES C(Cn1c(nc2ccccc12)C1CCCNC1)Oc1ccccc1
Show InChI InChI=1S/C20H23N3O/c1-2-8-17(9-3-1)24-14-13-23-19-11-5-4-10-18(19)22-20(23)16-7-6-12-21-15-16/h1-5,8-11,16,21H,6-7,12-15H2
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430n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50361000
PNG
(CHEMBL1935437)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)[C@@H]2CCCNC2)cc1 |r|
Show InChI InChI=1S/C19H20FN3/c20-16-9-7-14(8-10-16)13-23-18-6-2-1-5-17(18)22-19(23)15-4-3-11-21-12-15/h1-2,5-10,15,21H,3-4,11-13H2/t15-/m1/s1
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480n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316932
PNG
(2-(1-methylpiperidin-3-yl)-1-((tetrahydrofuran-2-y...)
Show SMILES CN1CCCC(C1)c1nc2ccccc2n1CC1CCCO1
Show InChI InChI=1S/C18H25N3O/c1-20-10-4-6-14(12-20)18-19-16-8-2-3-9-17(16)21(18)13-15-7-5-11-22-15/h2-3,8-9,14-15H,4-7,10-13H2,1H3
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638n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316930
PNG
(2-(1-cyclohexylpiperidin-3-yl)-1-(4-fluorobenzyl)-...)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)cc1
Show InChI InChI=1S/C25H30FN3/c26-21-14-12-19(13-15-21)17-29-24-11-5-4-10-23(24)27-25(29)20-7-6-16-28(18-20)22-8-2-1-3-9-22/h4-5,10-15,20,22H,1-3,6-9,16-18H2
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926n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50361007
PNG
(CHEMBL1935444)
Show SMILES Cc1ccc(Cn2c(nc3ccccc23)C2CNCCS2)cc1
Show InChI InChI=1S/C19H21N3S/c1-14-6-8-15(9-7-14)13-22-17-5-3-2-4-16(17)21-19(22)18-12-20-10-11-23-18/h2-9,18,20H,10-13H2,1H3
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930n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of muscarinic M1 receptor


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316924
PNG
(2-((2-(1-cyclohexylpiperidin-3-yl)-1H-benzo[d]imid...)
Show SMILES Cc1csc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)n1
Show InChI InChI=1S/C23H30N4S/c1-17-16-28-22(24-17)15-27-21-12-6-5-11-20(21)25-23(27)18-8-7-13-26(14-18)19-9-3-2-4-10-19/h5-6,11-12,16,18-19H,2-4,7-10,13-15H2,1H3
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UniChem
Article
PubMed
1.18E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316935
PNG
(1-(2-ethoxyethyl)-2-(1-methylpiperidin-3-yl)-1H-be...)
Show SMILES CCOCCn1c(nc2ccccc12)C1CCCN(C)C1
Show InChI InChI=1S/C17H25N3O/c1-3-21-12-11-20-16-9-5-4-8-15(16)18-17(20)14-7-6-10-19(2)13-14/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3
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1.26E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316931
PNG
(1-(4-fluorobenzyl)-2-(1-isopropylpiperidin-3-yl)-1...)
Show SMILES CC(C)N1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C22H26FN3/c1-16(2)25-13-5-6-18(15-25)22-24-20-7-3-4-8-21(20)26(22)14-17-9-11-19(23)12-10-17/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3
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1.37E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50316921
PNG
((S)-1-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)...)
Show SMILES CCOCCn1c(nc2ccccc12)N1CC[C@@H](C1)N(C)C |r|
Show InChI InChI=1S/C17H26N4O/c1-4-22-12-11-21-16-8-6-5-7-15(16)18-17(21)20-10-9-14(13-20)19(2)3/h5-8,14H,4,9-13H2,1-3H3/t14-/m0/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316928
PNG
(2-(1-cyclohexylpiperidin-3-yl)-1-(4-methoxybenzyl)...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)cc1
Show InChI InChI=1S/C26H33N3O/c1-30-23-15-13-20(14-16-23)18-29-25-12-6-5-11-24(25)27-26(29)21-8-7-17-28(19-21)22-9-3-2-4-10-22/h5-6,11-16,21-22H,2-4,7-10,17-19H2,1H3
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1.84E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50316922
PNG
((R)-1-(1-(4-methoxybenzyl)-1H-benzo[d]imidazol-2-y...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-23(2)17-12-13-24(15-17)21-22-19-6-4-5-7-20(19)25(21)14-16-8-10-18(26-3)11-9-16/h4-11,17H,12-15H2,1-3H3/t17-/m1/s1
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2.50E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50360994
PNG
(CHEMBL1935431)
Show SMILES CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H27FN4O/c1-26(2)22(29)16-27-13-5-6-18(15-27)23-25-20-7-3-4-8-21(20)28(23)14-17-9-11-19(24)12-10-17/h3-4,7-12,18H,5-6,13-16H2,1-2H3
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2.60E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human Erg


Bioorg Med Chem Lett 22: 421-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.115
BindingDB Entry DOI: 10.7270/Q2J103KS
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316929
PNG
(2-(1-isopropylpiperidin-3-yl)-1-(4-methoxybenzyl)-...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C(C)C)cc1
Show InChI InChI=1S/C23H29N3O/c1-17(2)25-14-6-7-19(16-25)23-24-21-8-4-5-9-22(21)26(23)15-18-10-12-20(27-3)13-11-18/h4-5,8-13,17,19H,6-7,14-16H2,1-3H3
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2.65E+3n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
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