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Compile Data Set for Download or QSAR

Found 162 hits Enz. Inhib. hit(s) with all data for entry = 50041046   
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 H3 receptor


(Rattus norvegicus (rat))
BDBM50220468
PNG
(CHEMBL61120)
Show SMILES NCCC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c21-9-8-19(24)23-13-11-22(12-14-23)10-1-15-26-18-6-4-17(5-7-18)20(25)16-2-3-16/h4-7,16H,1-3,8-15,21H2
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0.501n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220419
PNG
(CHEMBL63125)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C27H43N3O5/c1-6-7-8-10-24(31)22-11-13-23(14-12-22)34-20-9-15-29-16-18-30(19-17-29)25(32)21(2)28-26(33)35-27(3,4)5/h11-14,21H,6-10,15-20H2,1-5H3,(H,28,33)/t21-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139308
PNG
((R)-2-Amino-1-{4-[3-(4-cyclopropanecarbonyl-phenox...)
Show SMILES C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220473
PNG
(CHEMBL305144)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H]2CCN2)cc1
Show InChI InChI=1S/C21H29N3O3/c25-20(16-2-3-16)17-4-6-18(7-5-17)27-15-1-10-23-11-13-24(14-12-23)21(26)19-8-9-22-19/h4-7,16,19,22H,1-3,8-15H2/t19-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220430
PNG
(CHEMBL302829)
Show SMILES CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-2-19(22)21(26)24-13-11-23(12-14-24)10-3-15-27-18-8-6-17(7-9-18)20(25)16-4-5-16/h6-9,16,19H,2-5,10-15,22H2,1H3/t19-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220467
PNG
(CHEMBL62421)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](C)N)cc1
Show InChI InChI=1S/C22H35N3O3/c1-3-4-5-7-21(26)19-8-10-20(11-9-19)28-17-6-12-24-13-15-25(16-14-24)22(27)18(2)23/h8-11,18H,3-7,12-17,23H2,1-2H3/t18-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220430
PNG
(CHEMBL302829)
Show SMILES CC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-2-19(22)21(26)24-13-11-23(12-14-24)10-3-15-27-18-8-6-17(7-9-18)20(25)16-4-5-16/h6-9,16,19H,2-5,10-15,22H2,1H3/t19-/m1/s1
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1.95n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220417
PNG
(CHEMBL64406)
Show SMILES C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C25H37N3O5/c1-18(26-24(31)33-25(2,3)4)23(30)28-15-13-27(14-16-28)12-5-17-32-21-10-8-20(9-11-21)22(29)19-6-7-19/h8-11,18-19H,5-7,12-17H2,1-4H3,(H,26,31)/t18-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220422
PNG
(CHEMBL60401)
Show SMILES CNCC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c1-21-15-19(24)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)20(25)16-3-4-16/h5-8,16,21H,2-4,9-15H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220449
PNG
(CHEMBL60837)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C27H43N3O6/c1-5-6-7-9-24(32)21-10-12-22(13-11-21)35-19-8-14-29-15-17-30(18-16-29)25(33)23(20-31)28-26(34)36-27(2,3)4/h10-13,23,31H,5-9,14-20H2,1-4H3,(H,28,34)/t23-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220428
PNG
(CHEMBL418666)
Show SMILES CC[C@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-2-19(22)21(26)24-13-11-23(12-14-24)10-3-15-27-18-8-6-17(7-9-18)20(25)16-4-5-16/h6-9,16,19H,2-5,10-15,22H2,1H3/t19-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220434
PNG
(CHEMBL291821)
Show SMILES CCC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C22H33N3O3/c1-2-4-20(23)22(27)25-14-12-24(13-15-25)11-3-16-28-19-9-7-18(8-10-19)21(26)17-5-6-17/h7-10,17,20H,2-6,11-16,23H2,1H3/t20-/m1/s1
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220457
PNG
(CHEMBL60143)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C31H41N3O5/c1-31(2,3)39-30(37)32-27(22-23-8-5-4-6-9-23)29(36)34-19-17-33(18-20-34)16-7-21-38-26-14-12-25(13-15-26)28(35)24-10-11-24/h4-6,8-9,12-15,24,27H,7,10-11,16-22H2,1-3H3,(H,32,37)/t27-/m1/s1
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4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220459
PNG
(CHEMBL62596)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)[C@@H]2CC(=O)N2)cc1
Show InChI InChI=1S/C20H27N3O3/c24-19-14-18(21-19)23-11-9-22(10-12-23)8-1-13-26-17-6-4-16(5-7-17)20(25)15-2-3-15/h4-7,15,18H,1-3,8-14H2,(H,21,24)/t18-/m1/s1
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4.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220439
PNG
(CHEMBL64059)
Show SMILES N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C27H35N3O3/c28-25(14-7-21-5-2-1-3-6-21)27(32)30-18-16-29(17-19-30)15-4-20-33-24-12-10-23(11-13-24)26(31)22-8-9-22/h1-3,5-6,10-13,22,25H,4,7-9,14-20,28H2/t25-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220437
PNG
(CHEMBL61792)
Show SMILES N[C@H](Cc1c[nH]cn1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C23H31N5O3/c24-21(14-19-15-25-16-26-19)23(30)28-11-9-27(10-12-28)8-1-13-31-20-6-4-18(5-7-20)22(29)17-2-3-17/h4-7,15-17,21H,1-3,8-14,24H2,(H,25,26)/t21-/m1/s1
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4.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220433
PNG
(CHEMBL60435)
Show SMILES O=C(C[C@H]1CCCN1)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C23H33N3O3/c27-22(17-20-3-1-10-24-20)26-14-12-25(13-15-26)11-2-16-29-21-8-6-19(7-9-21)23(28)18-4-5-18/h6-9,18,20,24H,1-5,10-17H2/t20-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220461
PNG
(CHEMBL59733)
Show SMILES N[C@H](Cc1nccs1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C23H30N4O3S/c24-20(16-21-25-8-15-31-21)23(29)27-12-10-26(11-13-27)9-1-14-30-19-6-4-18(5-7-19)22(28)17-2-3-17/h4-8,15,17,20H,1-3,9-14,16,24H2/t20-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220427
PNG
(CHEMBL64608)
Show SMILES C[C@@H](CN)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-16(15-22)21(26)24-12-10-23(11-13-24)9-2-14-27-19-7-5-18(6-8-19)20(25)17-3-4-17/h5-8,16-17H,2-4,9-15,22H2,1H3/t16-/m0/s1
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6.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220471
PNG
(CHEMBL62660)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)CO)cc1
Show InChI InChI=1S/C22H35N3O4/c1-2-3-4-6-21(27)18-7-9-19(10-8-18)29-16-5-11-24-12-14-25(15-13-24)22(28)20(23)17-26/h7-10,20,26H,2-6,11-17,23H2,1H3/t20-/m1/s1
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7.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220470
PNG
(CHEMBL293033)
Show SMILES CC(C)(C)OC[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C24H37N3O4/c1-24(2,3)31-17-21(25)23(29)27-14-12-26(13-15-27)11-4-16-30-20-9-7-19(8-10-20)22(28)18-5-6-18/h7-10,18,21H,4-6,11-17,25H2,1-3H3/t21-/m1/s1
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8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220460
PNG
(CHEMBL304888)
Show SMILES CC(C)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C23H35N3O3/c1-17(2)24-18(3)23(28)26-14-12-25(13-15-26)11-4-16-29-21-9-7-20(8-10-21)22(27)19-5-6-19/h7-10,17-19,24H,4-6,11-16H2,1-3H3/t18-/m1/s1
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8.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220426
PNG
(CHEMBL61288)
Show SMILES C[C@H](CN)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H31N3O3/c1-16(15-22)21(26)24-12-10-23(11-13-24)9-2-14-27-19-7-5-18(6-8-19)20(25)17-3-4-17/h5-8,16-17H,2-4,9-15,22H2,1H3/t16-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220472
PNG
(CHEMBL64321)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)Cc2ccncc2)cc1
Show InChI InChI=1S/C27H38N4O3/c1-2-3-4-6-26(32)23-7-9-24(10-8-23)34-20-5-15-30-16-18-31(19-17-30)27(33)25(28)21-22-11-13-29-14-12-22/h7-14,25H,2-6,15-21,28H2,1H3/t25-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220464
PNG
(CHEMBL62808)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](N)Cc2ccncc2)cc1
Show InChI InChI=1S/C27H38N4O3/c1-2-3-4-6-26(32)23-7-9-24(10-8-23)34-20-5-15-30-16-18-31(19-17-30)27(33)25(28)21-22-11-13-29-14-12-22/h7-14,25H,2-6,15-21,28H2,1H3/t25-/m0/s1
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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220438
PNG
(CHEMBL59931)
Show SMILES CC(C)(C)C[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C24H37N3O3/c1-24(2,3)17-21(25)23(29)27-14-12-26(13-15-27)11-4-16-30-20-9-7-19(8-10-20)22(28)18-5-6-18/h7-10,18,21H,4-6,11-17,25H2,1-3H3/t21-/m1/s1
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12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220436
PNG
(CHEMBL64896)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H]2CCN2)cc1
Show InChI InChI=1S/C21H29N3O3/c25-20(16-2-3-16)17-4-6-18(7-5-17)27-15-1-10-23-11-13-24(14-12-23)21(26)19-8-9-22-19/h4-7,16,19,22H,1-3,8-15H2/t19-/m0/s1
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220418
PNG
(CHEMBL59870)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C30H49N3O5/c1-7-8-9-11-27(34)24-12-14-25(15-13-24)37-21-10-16-32-17-19-33(20-18-32)28(35)26(22-23(2)3)31-29(36)38-30(4,5)6/h12-15,23,26H,7-11,16-22H2,1-6H3,(H,31,36)/t26-/m1/s1
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220440
PNG
(CHEMBL60598)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1
Show InChI InChI=1S/C29H47N3O5/c1-7-8-9-11-25(33)23-12-14-24(15-13-23)36-21-10-16-31-17-19-32(20-18-31)27(34)26(22(2)3)30-28(35)37-29(4,5)6/h12-15,22,26H,7-11,16-21H2,1-6H3,(H,30,35)/t26-/m1/s1
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15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220462
PNG
(CHEMBL303369)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)C(C)C)cc1
Show InChI InChI=1S/C24H39N3O3/c1-4-5-6-8-22(28)20-9-11-21(12-10-20)30-18-7-13-26-14-16-27(17-15-26)24(29)23(25)19(2)3/h9-12,19,23H,4-8,13-18,25H2,1-3H3/t23-/m1/s1
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220431
PNG
(CHEMBL62804)
Show SMILES C[C@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m0/s1
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220450
PNG
(CHEMBL62903)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](Cc2ccncc2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C32H46N4O5/c1-5-6-7-9-29(37)26-10-12-27(13-11-26)40-23-8-18-35-19-21-36(22-20-35)30(38)28(24-25-14-16-33-17-15-25)34-31(39)41-32(2,3)4/h10-17,28H,5-9,18-24H2,1-4H3,(H,34,39)/t28-/m1/s1
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23n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220452
PNG
(CHEMBL60559)
Show SMILES N[C@H](Cc1ccsc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C24H31N3O3S/c25-22(16-18-8-15-31-17-18)24(29)27-12-10-26(11-13-27)9-1-14-30-21-6-4-20(5-7-21)23(28)19-2-3-19/h4-8,15,17,19,22H,1-3,9-14,16,25H2/t22-/m1/s1
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23n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220455
PNG
(CHEMBL434785)
Show SMILES N[C@H](C1Cc2ccccc2C1)C(O)=O |r|
Show InChI InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1
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26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220425
PNG
(CHEMBL302468)
Show SMILES N[C@@H](C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1)c1ccccc1
Show InChI InChI=1S/C25H31N3O3/c26-23(19-5-2-1-3-6-19)25(30)28-16-14-27(15-17-28)13-4-18-31-22-11-9-21(10-12-22)24(29)20-7-8-20/h1-3,5-6,9-12,20,23H,4,7-8,13-18,26H2/t23-/m1/s1
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220454
PNG
(CHEMBL64124)
Show SMILES N[C@H](CC#N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C21H28N4O3/c22-9-8-19(23)21(27)25-13-11-24(12-14-25)10-1-15-28-18-6-4-17(5-7-18)20(26)16-2-3-16/h4-7,16,19H,1-3,8,10-15,23H2/t19-/m1/s1
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29n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220429
PNG
(CHEMBL305371)
Show SMILES N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C26H33N3O4/c27-24(18-19-2-8-22(30)9-3-19)26(32)29-15-13-28(14-16-29)12-1-17-33-23-10-6-21(7-11-23)25(31)20-4-5-20/h2-3,6-11,20,24,30H,1,4-5,12-18,27H2/t24-/m1/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220442
PNG
(CHEMBL64461)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H]2CCCN2)cc1
Show InChI InChI=1S/C22H31N3O3/c26-21(17-4-5-17)18-6-8-19(9-7-18)28-16-2-11-24-12-14-25(15-13-24)22(27)20-3-1-10-23-20/h6-9,17,20,23H,1-5,10-16H2/t20-/m1/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220456
PNG
(CHEMBL417215)
Show SMILES N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C26H32FN3O3/c27-22-8-2-19(3-9-22)18-24(28)26(32)30-15-13-29(14-16-30)12-1-17-33-23-10-6-21(7-11-23)25(31)20-4-5-20/h2-3,6-11,20,24H,1,4-5,12-18,28H2/t24-/m1/s1
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30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220423
PNG
(CHEMBL423666)
Show SMILES O=C(C1CC1)c1ccc(OCCCN2CCN(CC2)[C@H]2CC(=O)N2)cc1
Show InChI InChI=1S/C20H27N3O3/c24-19-14-18(21-19)23-11-9-22(10-12-23)8-1-13-26-17-6-4-16(5-7-17)20(25)15-2-3-15/h4-7,15,18H,1-3,8-14H2,(H,21,24)/t18-/m0/s1
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43n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220421
PNG
(CHEMBL62050)
Show SMILES CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C27H35N3O3/c1-28-25(20-21-6-3-2-4-7-21)27(32)30-17-15-29(16-18-30)14-5-19-33-24-12-10-23(11-13-24)26(31)22-8-9-22/h2-4,6-7,10-13,22,25,28H,5,8-9,14-20H2,1H3/t25-/m1/s1
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44n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220469
PNG
(CHEMBL62716)
Show SMILES CC(C)(C)[C@@H](N)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C23H35N3O3/c1-23(2,3)21(24)22(28)26-14-12-25(13-15-26)11-4-16-29-19-9-7-18(8-10-19)20(27)17-5-6-17/h7-10,17,21H,4-6,11-16,24H2,1-3H3/t21-/m0/s1
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52n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220432
PNG
(CHEMBL62266)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C32H46N4O5/c1-5-6-7-9-29(37)26-10-12-27(13-11-26)40-23-8-18-35-19-21-36(22-20-35)30(38)28(24-25-14-16-33-17-15-25)34-31(39)41-32(2,3)4/h10-17,28H,5-9,18-24H2,1-4H3,(H,34,39)/t28-/m0/s1
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54n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220435
PNG
(CHEMBL62741)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](N)CC(C)C)cc1
Show InChI InChI=1S/C25H41N3O3/c1-4-5-6-8-24(29)21-9-11-22(12-10-21)31-18-7-13-27-14-16-28(17-15-27)25(30)23(26)19-20(2)3/h9-12,20,23H,4-8,13-19,26H2,1-3H3/t23-/m1/s1
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62n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220441
PNG
(CHEMBL294087)
Show SMILES CN[C@H](C(C)C)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C23H35N3O3/c1-17(2)21(24-3)23(28)26-14-12-25(13-15-26)11-4-16-29-20-9-7-19(8-10-20)22(27)18-5-6-18/h7-10,17-18,21,24H,4-6,11-16H2,1-3H3/t21-/m1/s1
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76n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220465
PNG
(CHEMBL62592)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](N)C(C)C)cc1
Show InChI InChI=1S/C24H39N3O3/c1-4-5-6-8-22(28)20-9-11-21(12-10-20)30-18-7-13-26-14-16-27(17-15-26)24(29)23(25)19(2)3/h9-12,19,23H,4-8,13-18,25H2,1-3H3/t23-/m0/s1
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79n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220453
PNG
(CHEMBL312958)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1
Show InChI InChI=1S/C29H47N3O5/c1-7-8-9-11-25(33)23-12-14-24(15-13-23)36-21-10-16-31-17-19-32(20-18-31)27(34)26(22(2)3)30-28(35)37-29(4,5)6/h12-15,22,26H,7-11,16-21H2,1-6H3,(H,30,35)/t26-/m0/s1
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98n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220420
PNG
(CHEMBL63112)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)cc1
Show InChI InChI=1S/C30H49N3O5/c1-7-8-9-11-27(34)24-12-14-25(15-13-24)37-21-10-16-32-17-19-33(20-18-32)28(35)26(22-23(2)3)31-29(36)38-30(4,5)6/h12-15,23,26H,7-11,16-22H2,1-6H3,(H,31,36)/t26-/m0/s1
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112n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220451
PNG
(CHEMBL64120)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C27H39N3O5/c1-27(2,3)35-26(33)30-14-4-6-23(30)25(32)29-17-15-28(16-18-29)13-5-19-34-22-11-9-21(10-12-22)24(31)20-7-8-20/h9-12,20,23H,4-8,13-19H2,1-3H3/t23-/m1/s1
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120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220424
PNG
(CHEMBL60189)
Show SMILES N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1
Show InChI InChI=1S/C32H37N3O3/c33-30(23-24-7-9-26(10-8-24)25-5-2-1-3-6-25)32(37)35-20-18-34(19-21-35)17-4-22-38-29-15-13-28(14-16-29)31(36)27-11-12-27/h1-3,5-10,13-16,27,30H,4,11-12,17-23,33H2/t30-/m1/s1
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132n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards Histamine H3 receptor of rat cortical membranes.


Bioorg Med Chem Lett 12: 2035-7 (2002)


BindingDB Entry DOI: 10.7270/Q2RB75SX
More data for this
Ligand-Target Pair
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