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PubMed code 21381763

Compile data set for download or QSAR
Found 52 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 H1 receptor


(Homo sapiens (Human))
BDBM50418268
PNG
(CHEMBL1767137)
Show SMILES COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C22H25N3O2/c1-24-13-5-6-17(24)15-25-22(26)20-8-4-3-7-19(20)21(23-25)14-16-9-11-18(27-2)12-10-16/h3-4,7-12,17H,5-6,13-15H2,1-2H3/t17-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50391708
PNG
(CHEMBL1767136)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H22ClN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m1/s1
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418267
PNG
(CHEMBL1767138)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(O)cc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H23N3O2/c1-23-12-4-5-16(23)14-24-21(26)19-7-3-2-6-18(19)20(22-24)13-15-8-10-17(25)11-9-15/h2-3,6-11,16,25H,4-5,12-14H2,1H3/t16-/m1/s1
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0.158n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418266
PNG
(CHEMBL1767141)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(C)cc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C22H25N3O/c1-16-9-11-17(12-10-16)14-21-19-7-3-4-8-20(19)22(26)25(23-21)15-18-6-5-13-24(18)2/h3-4,7-12,18H,5-6,13-15H2,1-2H3/t18-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418298
PNG
(CHEMBL1767134)
Show SMILES CN(C)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C19H20ClN3O/c1-22(2)11-12-23-19(24)17-6-4-3-5-16(17)18(21-23)13-14-7-9-15(20)10-8-14/h3-10H,11-13H2,1-2H3
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418265
PNG
(CHEMBL1767149)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)c(F)c2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H21F2N3O/c1-25-10-4-5-15(25)13-26-21(27)17-7-3-2-6-16(17)20(24-26)12-14-8-9-18(22)19(23)11-14/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3/t15-/m1/s1
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0.251n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418296
PNG
(CHEMBL1767140)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(F)cc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H22FN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m1/s1
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418297
PNG
(CHEMBL1767154)
Show SMILES CN1CCC[C@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H22ClN3O/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(22)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3/t17-/m0/s1
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0.316n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418295
PNG
(CHEMBL1767145)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2cccc(F)c2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H22FN3O/c1-24-11-5-8-17(24)14-25-21(26)19-10-3-2-9-18(19)20(23-25)13-15-6-4-7-16(22)12-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m1/s1
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0.501n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418294
PNG
(CHEMBL1767148)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2cccc(C)c2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C22H25N3O/c1-16-7-5-8-17(13-16)14-21-19-10-3-4-11-20(19)22(26)25(23-21)15-18-9-6-12-24(18)2/h3-5,7-8,10-11,13,18H,6,9,12,14-15H2,1-2H3/t18-/m1/s1
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0.794n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418293
PNG
(CHEMBL1767156)
Show SMILES CN1CCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C21H22ClN3O/c1-24-12-10-17(11-13-24)25-21(26)19-5-3-2-4-18(19)20(23-25)14-15-6-8-16(22)9-7-15/h2-9,17H,10-14H2,1H3
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1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50341448
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
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1.26n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418291
PNG
(CHEMBL1767146)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2cccc(Cl)c2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H22ClN3O/c1-24-11-5-8-17(24)14-25-21(26)19-10-3-2-9-18(19)20(23-25)13-15-6-4-7-16(22)12-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418292
PNG
(CHEMBL1767153)
Show SMILES CCCCCc1nn(C[C@H]2CCCN2C)c(=O)c2ccccc12 |r|
Show InChI InChI=1S/C19H27N3O/c1-3-4-5-12-18-16-10-6-7-11-17(16)19(23)22(20-18)14-15-9-8-13-21(15)2/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3/t15-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418290
PNG
(CHEMBL1767147)
Show SMILES COc1cccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)c1 |r|
Show InChI InChI=1S/C22H25N3O2/c1-24-12-6-8-17(24)15-25-22(26)20-11-4-3-10-19(20)21(23-25)14-16-7-5-9-18(13-16)27-2/h3-5,7,9-11,13,17H,6,8,12,14-15H2,1-2H3/t17-/m1/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418289
PNG
(CHEMBL1767158)
Show SMILES CN1CCCCC(C1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C22H24ClN3O/c1-25-13-5-4-6-18(15-25)26-22(27)20-8-3-2-7-19(20)21(24-26)14-16-9-11-17(23)12-10-16/h2-3,7-12,18H,4-6,13-15H2,1H3
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2.51n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418288
PNG
(CHEMBL1767139)
Show SMILES CCOc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H27N3O2/c1-3-28-19-12-10-17(11-13-19)15-22-20-8-4-5-9-21(20)23(27)26(24-22)16-18-7-6-14-25(18)2/h4-5,8-13,18H,3,6-7,14-16H2,1-2H3/t18-/m1/s1
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5.01n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418287
PNG
(CHEMBL1767155)
Show SMILES CN1CCC(Cn2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)C1
Show InChI InChI=1S/C21H22ClN3O/c1-24-11-10-16(13-24)14-25-21(26)19-5-3-2-4-18(19)20(23-25)12-15-6-8-17(22)9-7-15/h2-9,16H,10-14H2,1H3
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6.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM35938
PNG
(1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpro...)
Show SMILES CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
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7n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418269
PNG
(CHEMBL1767165)
Show SMILES COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C40H52N4O3/c1-46-35-20-18-33(19-21-35)30-39-37-14-4-5-15-38(37)40(45)44(41-39)31-34-13-10-28-43(34)27-9-6-12-32-16-22-36(23-17-32)47-29-11-26-42-24-7-2-3-8-25-42/h4-5,14-23,34H,2-3,6-13,24-31H2,1H3/t34-/m1/s1
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7.94n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418286
PNG
(CHEMBL1767135)
Show SMILES CN(C)CCCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C20H22ClN3O/c1-23(2)12-5-13-24-20(25)18-7-4-3-6-17(18)19(22-24)14-15-8-10-16(21)11-9-15/h3-4,6-11H,5,12-14H2,1-2H3
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418270
PNG
(CHEMBL1767166)
Show SMILES Oc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H50N4O3/c44-34-19-15-32(16-20-34)29-38-36-13-3-4-14-37(36)39(45)43(40-38)30-33-12-9-27-42(33)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-41-23-6-1-2-7-24-41/h3-4,13-22,33,44H,1-2,5-12,23-30H2/t33-/m1/s1
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418271
PNG
(CHEMBL1767167)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C40H51ClN4O2/c41-34-20-16-33(17-21-34)30-39-37-14-5-6-15-38(37)40(46)45(42-39)31-35-13-10-28-44(35)27-9-3-4-12-32-18-22-36(23-19-32)47-29-11-26-43-24-7-1-2-8-25-43/h5-6,14-23,35H,1-4,7-13,24-31H2/t35-/m1/s1
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12.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418285
PNG
(CHEMBL1767160)
Show SMILES Clc1ccc(Cc2nn(C3CCCN(CCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C39H49ClN4O2/c40-33-18-14-32(15-19-33)30-38-36-12-3-4-13-37(36)39(45)44(41-38)34-11-8-26-43(28-22-34)25-7-10-31-16-20-35(21-17-31)46-29-9-27-42-23-5-1-2-6-24-42/h3-4,12-21,34H,1-2,5-11,22-30H2
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418284
PNG
(CHEMBL1765111)
Show SMILES Clc1ccc(Cc2nn(C3CCCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C38H47ClN4O2/c39-32-16-12-31(13-17-32)29-37-35-10-3-4-11-36(35)38(44)43(40-37)33-9-7-24-42(27-21-33)26-20-30-14-18-34(19-15-30)45-28-8-25-41-22-5-1-2-6-23-41/h3-4,10-19,33H,1-2,5-9,20-29H2
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15.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418283
PNG
(CHEMBL1767161)
Show SMILES Clc1ccc(Cc2nn(C3CCCN(CCCCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C40H51ClN4O2/c41-34-19-15-33(16-20-34)31-39-37-13-3-4-14-38(37)40(46)45(42-39)35-12-9-27-44(29-23-35)26-8-5-11-32-17-21-36(22-18-32)47-30-10-28-43-24-6-1-2-7-25-43/h3-4,13-22,35H,1-2,5-12,23-31H2
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19.9n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418282
PNG
(CHEMBL1767168)
Show SMILES Clc1ccc(Cc2nn(C[C@@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m0/s1
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25.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418281
PNG
(CHEMBL1767152)
Show SMILES CN1CCC[C@@H]1Cn1nc(CCc2ccccc2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C22H25N3O/c1-24-15-7-10-18(24)16-25-22(26)20-12-6-5-11-19(20)21(23-25)14-13-17-8-3-2-4-9-17/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3/t18-/m1/s1
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31.6n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418278
PNG
(CHEMBL1767162)
Show SMILES Clc1ccc(Cc2nn(CCNCCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C36H45ClN4O2/c37-31-17-13-30(14-18-31)28-35-33-11-3-4-12-34(33)36(42)41(39-35)26-22-38-21-6-5-10-29-15-19-32(20-16-29)43-27-9-25-40-23-7-1-2-8-24-40/h3-4,11-20,38H,1-2,5-10,21-28H2
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418280
PNG
(CHEMBL1767163)
Show SMILES CN(CCCCc1ccc(OCCCN2CCCCCC2)cc1)CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C37H47ClN4O2/c1-40(22-9-6-11-30-16-20-33(21-17-30)44-28-10-25-41-23-7-2-3-8-24-41)26-27-42-37(43)35-13-5-4-12-34(35)36(39-42)29-31-14-18-32(38)19-15-31/h4-5,12-21H,2-3,6-11,22-29H2,1H3
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39.8n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418279
PNG
(CHEMBL1767159)
Show SMILES Clc1ccc(Cc2nn(C3CCCN(Cc4ccc(OCCCN5CCCCCC5)cc4)CC3)c(=O)c3ccccc23)cc1
Show InChI InChI=1S/C37H45ClN4O2/c38-31-16-12-29(13-17-31)27-36-34-10-3-4-11-35(34)37(43)42(39-36)32-9-7-23-41(25-20-32)28-30-14-18-33(19-15-30)44-26-8-24-40-21-5-1-2-6-22-40/h3-4,10-19,32H,1-2,5-9,20-28H2
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50.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418277
PNG
(CHEMBL1767157)
Show SMILES CN1CCCC1CCn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(25)12-14-26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
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63.1n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418275
PNG
(CHEMBL1767151)
Show SMILES CN1CCC[C@@H]1Cn1nc(CC2CCCCC2)c2ccccc2c1=O |r|
Show InChI InChI=1S/C21H29N3O/c1-23-13-7-10-17(23)15-24-21(25)19-12-6-5-11-18(19)20(22-24)14-16-8-3-2-4-9-16/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3/t17-/m1/s1
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79.4n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418276
PNG
(CHEMBL1767142)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(cc2)C(C)(C)C)c2ccccc2c1=O |r|
Show InChI InChI=1S/C25H31N3O/c1-25(2,3)19-13-11-18(12-14-19)16-23-21-9-5-6-10-22(21)24(29)28(26-23)17-20-8-7-15-27(20)4/h5-6,9-14,20H,7-8,15-17H2,1-4H3/t20-/m1/s1
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398n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418274
PNG
(CHEMBL1767143)
Show SMILES COC(=O)c1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C23H25N3O3/c1-25-13-5-6-18(25)15-26-22(27)20-8-4-3-7-19(20)21(24-26)14-16-9-11-17(12-10-16)23(28)29-2/h3-4,7-12,18H,5-6,13-15H2,1-2H3/t18-/m1/s1
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631n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418273
PNG
(CHEMBL1767144)
Show SMILES CN1CCC[C@@H]1Cn1nc(Cc2ccc(cc2)C(O)=O)c2ccccc2c1=O |r|
Show InChI InChI=1S/C22H23N3O3/c1-24-12-4-5-17(24)14-25-21(26)19-7-3-2-6-18(19)20(23-25)13-15-8-10-16(11-9-15)22(27)28/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,27,28)/t17-/m1/s1
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>1.58E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418272
PNG
(CHEMBL1767150)
Show SMILES COc1ccc(Cc2nn(C[C@H]3CCCN3C)c(=O)c3ccccc23)cc1OC |r|
Show InChI InChI=1S/C23H27N3O3/c1-25-12-6-7-17(25)15-26-23(27)19-9-5-4-8-18(19)20(24-26)13-16-10-11-21(28-2)22(14-16)29-3/h4-5,8-11,14,17H,6-7,12-13,15H2,1-3H3/t17-/m1/s1
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1.58E+3n/an/an/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/a 50.1n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of labeled dofetilide human ERG


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50341448
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Displacement of labeled dofetilide human ERG


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50341448
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/a>3.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H2 receptor


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50341448
PNG
(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Show SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3
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n/an/an/a 0.200n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418271
PNG
(CHEMBL1767167)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C40H51ClN4O2/c41-34-20-16-33(17-21-34)30-39-37-14-5-6-15-38(37)40(46)45(42-39)31-35-13-10-28-44(35)27-9-3-4-12-32-18-22-36(23-19-32)47-29-11-26-43-24-7-1-2-8-25-43/h5-6,14-23,35H,1-4,7-13,24-31H2/t35-/m1/s1
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n/an/an/a 1.26n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50341447
PNG
(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Show SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H49ClN4O2/c40-33-19-15-32(16-20-33)29-38-36-13-3-4-14-37(36)39(45)44(41-38)30-34-12-9-27-43(34)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-42-23-6-1-2-7-24-42/h3-4,13-22,34H,1-2,5-12,23-30H2/t34-/m1/s1
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n/an/an/a 0.794n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418269
PNG
(CHEMBL1767165)
Show SMILES COc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C40H52N4O3/c1-46-35-20-18-33(19-21-35)30-39-37-14-4-5-15-38(37)40(45)44(41-39)31-34-13-10-28-43(34)27-9-6-12-32-16-22-36(23-17-32)47-29-11-26-42-24-7-2-3-8-25-42/h4-5,14-23,34H,2-3,6-13,24-31H2,1H3/t34-/m1/s1
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n/an/an/a 1.26n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50418270
PNG
(CHEMBL1767166)
Show SMILES Oc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1 |r|
Show InChI InChI=1S/C39H50N4O3/c44-34-19-15-32(16-20-34)29-38-36-13-3-4-14-37(36)39(45)43(40-38)30-33-12-9-27-42(33)26-8-5-11-31-17-21-35(22-18-31)46-28-10-25-41-23-6-1-2-7-24-41/h3-4,13-22,33,44H,1-2,5-12,23-30H2/t33-/m1/s1
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n/an/an/a 3.98n/an/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...


J Med Chem 54: 2183-95 (2011)


Article DOI: 10.1021/jm1013874
BindingDB Entry DOI: 10.7270/Q2GQ6Z2Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%