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PubMed code 21824776

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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1n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352798
PNG
(CHEMBL1823402)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-22-20(24)10-9-19(21-22)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-2-4-16/h5-10,16,18H,2-4,11-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352799
PNG
(CHEMBL1823403)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352798
PNG
(CHEMBL1823402)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C20H25N3O2/c1-22-20(24)10-9-19(21-22)15-5-7-17(8-6-15)25-18-11-13-23(14-12-18)16-3-2-4-16/h5-10,16,18H,2-4,11-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50350022
PNG
(CHEMBL1813057)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H25N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-11,15H,3-5,12-14H2,1-2H3/t15-/m1/s1
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6n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352799
PNG
(CHEMBL1823403)
Show SMILES Cn1nc(ccc1=O)-c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-23-21(25)11-10-20(22-23)16-6-8-18(9-7-16)26-19-12-14-24(15-13-19)17-4-2-3-5-17/h6-11,17,19H,2-5,12-15H2,1H3
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6n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352800
PNG
(CHEMBL1823410)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1
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10n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352806
PNG
(CHEMBL1823411)
Show SMILES Fc1ccc(cc1)-n1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C26H27FN4O2/c27-21-9-11-22(12-10-21)31-25(32)14-13-24(28-31)19-5-7-20(8-6-19)26(33)30-17-3-4-23(30)18-29-15-1-2-16-29/h5-14,23H,1-4,15-18H2/t23-/m0/s1
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16n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352807
PNG
(CHEMBL1823412)
Show SMILES O=C(N1CCC[C@H]1CN1CCCC1)c1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C20H24N4O2/c25-19-10-9-18(21-22-19)15-5-7-16(8-6-15)20(26)24-13-3-4-17(24)14-23-11-1-2-12-23/h5-10,17H,1-4,11-14H2,(H,22,25)/t17-/m0/s1
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17n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352807
PNG
(CHEMBL1823412)
Show SMILES O=C(N1CCC[C@H]1CN1CCCC1)c1ccc(cc1)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C20H24N4O2/c25-19-10-9-18(21-22-19)15-5-7-16(8-6-15)20(26)24-13-3-4-17(24)14-23-11-1-2-12-23/h5-10,17H,1-4,11-14H2,(H,22,25)/t17-/m0/s1
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46n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352800
PNG
(CHEMBL1823410)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1
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84n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352806
PNG
(CHEMBL1823411)
Show SMILES Fc1ccc(cc1)-n1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C26H27FN4O2/c27-21-9-11-22(12-10-21)31-25(32)14-13-24(28-31)19-5-7-20(8-6-19)26(33)30-17-3-4-23(30)18-29-15-1-2-16-29/h5-14,23H,1-4,15-18H2/t23-/m0/s1
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92n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352801
PNG
(CHEMBL1823405)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C20H26N4O/c1-22-20(25)11-10-19(21-22)16-6-8-18(9-7-16)24-14-12-23(13-15-24)17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3
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93n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352802
PNG
(CHEMBL1823406)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H24N4O/c1-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20(3)19-17/h4-9,14H,10-13H2,1-3H3
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110n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352804
PNG
(CHEMBL1823408)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-12-24(13-15-25)18-4-2-3-5-18/h6-11,18H,2-5,12-15H2,1H3
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134n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352805
PNG
(CHEMBL1823409)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H24N4O2/c1-14(2)22-10-12-23(13-11-22)19(25)16-6-4-15(5-7-16)17-8-9-18(24)21(3)20-17/h4-9,14H,10-13H2,1-3H3
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167n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352805
PNG
(CHEMBL1823409)
Show SMILES CC(C)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C19H24N4O2/c1-14(2)22-10-12-23(13-11-22)19(25)16-6-4-15(5-7-16)17-8-9-18(24)21(3)20-17/h4-9,14H,10-13H2,1-3H3
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185n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352804
PNG
(CHEMBL1823408)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-12-24(13-15-25)18-4-2-3-5-18/h6-11,18H,2-5,12-15H2,1H3
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186n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352801
PNG
(CHEMBL1823405)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)N1CCN(CC1)C1CCCC1
Show InChI InChI=1S/C20H26N4O/c1-22-20(25)11-10-19(21-22)16-6-8-18(9-7-16)24-14-12-23(13-15-24)17-4-2-3-5-17/h6-11,17H,2-5,12-15H2,1H3
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255n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352803
PNG
(CHEMBL1823407)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C18H22N4O/c1-20-18(23)9-8-17(19-20)14-4-6-15(7-5-14)22-12-11-21-10-2-3-16(21)13-22/h4-9,16H,2-3,10-13H2,1H3/t16-/m0/s1
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308n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352802
PNG
(CHEMBL1823406)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C18H24N4O/c1-14(2)21-10-12-22(13-11-21)16-6-4-15(5-7-16)17-8-9-18(23)20(3)19-17/h4-9,14H,10-13H2,1-3H3
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419n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352796
PNG
(CHEMBL1823404)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C17H22N4O/c1-19-10-3-11-21(13-12-19)15-6-4-14(5-7-15)16-8-9-17(22)20(2)18-16/h4-9H,3,10-13H2,1-2H3
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>500n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352797
PNG
(CHEMBL1821744)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C19H22N4O2/c1-21-18(24)9-8-17(20-21)14-4-6-15(7-5-14)19(25)23-12-11-22-10-2-3-16(22)13-23/h4-9,16H,2-3,10-13H2,1H3/t16-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352796
PNG
(CHEMBL1823404)
Show SMILES CN1CCCN(CC1)c1ccc(cc1)-c1ccc(=O)n(C)n1
Show InChI InChI=1S/C17H22N4O/c1-19-10-3-11-21(13-12-19)15-6-4-14(5-7-15)16-8-9-17(22)20(2)18-16/h4-9H,3,10-13H2,1-2H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50352803
PNG
(CHEMBL1823407)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C18H22N4O/c1-20-18(23)9-8-17(19-20)14-4-6-15(7-5-14)22-12-11-21-10-2-3-16(21)13-22/h4-9,16H,2-3,10-13H2,1H3/t16-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50352797
PNG
(CHEMBL1821744)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C19H22N4O2/c1-21-18(24)9-8-17(20-21)14-4-6-15(7-5-14)19(25)23-12-11-22-10-2-3-16(22)13-23/h4-9,16H,2-3,10-13H2,1H3/t16-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50352800
PNG
(CHEMBL1823410)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50352800
PNG
(CHEMBL1823410)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50352800
PNG
(CHEMBL1823410)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50352800
PNG
(CHEMBL1823410)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50352800
PNG
(CHEMBL1823410)
Show SMILES Cn1nc(ccc1=O)-c1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Show InChI InChI=1S/C21H26N4O2/c1-23-20(26)11-10-19(22-23)16-6-8-17(9-7-16)21(27)25-14-4-5-18(25)15-24-12-2-3-13-24/h6-11,18H,2-5,12-15H2,1H3/t18-/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Cephalon Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 5543-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.094
BindingDB Entry DOI: 10.7270/Q2QF8TW7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%