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PubMed code 22617490

Compile data set for download or QSAR
Found 23 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))
BDBM50384401
PNG
(CHEMBL2031470)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1
Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384402
PNG
(CHEMBL2031471)
Show SMILES CC(C)n1nc-2c(CCc3cc(OCCCN4CCC[C@H]4C)ccc-23)cc1=O
Show InChI InChI=1S/C23H31N3O2/c1-16(2)26-22(27)15-19-8-7-18-14-20(9-10-21(18)23(19)24-26)28-13-5-12-25-11-4-6-17(25)3/h9-10,14-17H,4-8,11-13H2,1-3H3/t17-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384400
PNG
(CHEMBL2031474)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)[nH]nc-23)c1
Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-17-7-8-18-15(12-17)5-6-16-13-19(24)21-22-20(16)18/h7-8,12-14H,2-6,9-11H2,1H3,(H,21,24)/t14-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384406
PNG
(CHEMBL2031476)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3n[nH]c(=O)cc-23)c1
Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-16-6-7-17-15(12-16)5-8-19-18(17)13-20(24)22-21-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,24)/t14-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384401
PNG
(CHEMBL2031470)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1
Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384400
PNG
(CHEMBL2031474)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)[nH]nc-23)c1
Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-17-7-8-18-15(12-17)5-6-16-13-19(24)21-22-20(16)18/h7-8,12-14H,2-6,9-11H2,1H3,(H,21,24)/t14-/m1/s1
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14n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384405
PNG
(CHEMBL2031475)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc2C3=NNC(=O)CC3CCc2c1
Show InChI InChI=1S/C20H27N3O2/c1-14-4-2-9-23(14)10-3-11-25-17-7-8-18-15(12-17)5-6-16-13-19(24)21-22-20(16)18/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,21,24)/t14-,16?/m1/s1
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15n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384403
PNG
(CHEMBL2031472)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(nc-23)-c2ccccc2)c1
Show InChI InChI=1S/C26H29N3O2/c1-19-7-5-14-28(19)15-6-16-31-23-12-13-24-20(17-23)10-11-21-18-25(30)29(27-26(21)24)22-8-3-2-4-9-22/h2-4,8-9,12-13,17-19H,5-7,10-11,14-16H2,1H3/t19-/m1/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 expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384407
PNG
(CHEMBL2031477)
Show SMILES O=C1CC2CCc3cc(OC4CCN(CC4)C4CCC4)ccc3C2=NN1
Show InChI InChI=1S/C21H27N3O2/c25-20-13-15-5-4-14-12-18(6-7-19(14)21(15)23-22-20)26-17-8-10-24(11-9-17)16-2-1-3-16/h6-7,12,15-17H,1-5,8-11,13H2,(H,22,25)
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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 expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384402
PNG
(CHEMBL2031471)
Show SMILES CC(C)n1nc-2c(CCc3cc(OCCCN4CCC[C@H]4C)ccc-23)cc1=O
Show InChI InChI=1S/C23H31N3O2/c1-16(2)26-22(27)15-19-8-7-18-14-20(9-10-21(18)23(19)24-26)28-13-5-12-25-11-4-6-17(25)3/h9-10,14-17H,4-8,11-13H2,1-3H3/t17-/m1/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 rat histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384406
PNG
(CHEMBL2031476)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3n[nH]c(=O)cc-23)c1
Show InChI InChI=1S/C20H25N3O2/c1-14-4-2-9-23(14)10-3-11-25-16-6-7-17-15(12-16)5-8-19-18(17)13-20(24)22-21-19/h6-7,12-14H,2-5,8-11H2,1H3,(H,22,24)/t14-/m1/s1
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19n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384403
PNG
(CHEMBL2031472)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(nc-23)-c2ccccc2)c1
Show InChI InChI=1S/C26H29N3O2/c1-19-7-5-14-28(19)15-6-16-31-23-12-13-24-20(17-23)10-11-21-18-25(30)29(27-26(21)24)22-8-3-2-4-9-22/h2-4,8-9,12-13,17-19H,5-7,10-11,14-16H2,1H3/t19-/m1/s1
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23n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384407
PNG
(CHEMBL2031477)
Show SMILES O=C1CC2CCc3cc(OC4CCN(CC4)C4CCC4)ccc3C2=NN1
Show InChI InChI=1S/C21H27N3O2/c25-20-13-15-5-4-14-12-18(6-7-19(14)21(15)23-22-20)26-17-8-10-24(11-9-17)16-2-1-3-16/h6-7,12,15-17H,1-5,8-11,13H2,(H,22,25)
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26n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384405
PNG
(CHEMBL2031475)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc2C3=NNC(=O)CC3CCc2c1
Show InChI InChI=1S/C20H27N3O2/c1-14-4-2-9-23(14)10-3-11-25-17-7-8-18-15(12-17)5-6-16-13-19(24)21-22-20(16)18/h7-8,12,14,16H,2-6,9-11,13H2,1H3,(H,21,24)/t14-,16?/m1/s1
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53n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384404
PNG
(CHEMBL2031473)
Show SMILES O=c1cc2CCc3cc(OCCCN4CCCCC4)ccc3-c2nn1Cc1ccccc1
Show InChI InChI=1S/C27H31N3O2/c31-26-19-23-11-10-22-18-24(32-17-7-16-29-14-5-2-6-15-29)12-13-25(22)27(23)28-30(26)20-21-8-3-1-4-9-21/h1,3-4,8-9,12-13,18-19H,2,5-7,10-11,14-17,20H2
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105n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50384404
PNG
(CHEMBL2031473)
Show SMILES O=c1cc2CCc3cc(OCCCN4CCCCC4)ccc3-c2nn1Cc1ccccc1
Show InChI InChI=1S/C27H31N3O2/c31-26-19-23-11-10-22-18-24(32-17-7-16-29-14-5-2-6-15-29)12-13-25(22)27(23)28-30(26)20-21-8-3-1-4-9-21/h1,3-4,8-9,12-13,18-19H,2,5-7,10-11,14-17,20H2
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140n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50384407
PNG
(CHEMBL2031477)
Show SMILES O=C1CC2CCc3cc(OC4CCN(CC4)C4CCC4)ccc3C2=NN1
Show InChI InChI=1S/C21H27N3O2/c25-20-13-15-5-4-14-12-18(6-7-19(14)21(15)23-22-20)26-17-8-10-24(11-9-17)16-2-1-3-16/h6-7,12,15-17H,1-5,8-11,13H2,(H,22,25)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50384401
PNG
(CHEMBL2031470)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1
Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/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 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50384401
PNG
(CHEMBL2031470)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1
Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/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 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50384401
PNG
(CHEMBL2031470)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1
Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/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 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50384401
PNG
(CHEMBL2031470)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1
Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1
PDB
MMDB

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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 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50384401
PNG
(CHEMBL2031470)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1
Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/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 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (human))
BDBM50384401
PNG
(CHEMBL2031470)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1
Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inverse agonist activity at human H3 receptor by [35S]GTPgamma binding assay


Bioorg Med Chem Lett 22: 4198-202 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.001
BindingDB Entry DOI: 10.7270/Q2QR4Z52
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%