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PubMed code 14741266

Compile Data Set for Download or QSAR

Found 203 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 H3 receptor


(Rattus norvegicus (rat))
BDBM50139346
PNG
(CHEMBL158714 | Furan-2-carboxylic acid {(R)-2-[4-(...)
Show SMILES CC(C)CCc1nc(no1)-c1ccc(OCCCN2CCCN(CC2)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1F
Show InChI InChI=1S/C29H38FN5O5/c1-20(2)8-11-26-32-27(33-40-26)23-10-9-22(19-24(23)30)38-18-6-13-34-12-5-14-35(16-15-34)29(37)21(3)31-28(36)25-7-4-17-39-25/h4,7,9-10,17,19-21H,5-6,8,11-16,18H2,1-3H3,(H,31,36)/t21-/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139288
PNG
(CHEMBL158761 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)CCN1CCOCC1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C32H47FN6O5/c1-24(34-29(40)10-14-38-17-20-42-21-18-38)32(41)39-13-4-11-37(15-16-39)12-5-19-43-26-8-9-27(28(33)23-26)31-35-30(44-36-31)22-25-6-2-3-7-25/h8-9,23-25H,2-7,10-22H2,1H3,(H,34,40)/t24-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139326
PNG
(CHEMBL349692 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C30H38FN5O5/c1-21(32-29(37)26-9-4-17-40-26)30(38)36-14-5-12-35(15-16-36)13-6-18-39-23-10-11-24(25(31)20-23)28-33-27(41-34-28)19-22-7-2-3-8-22/h4,9-11,17,20-22H,2-3,5-8,12-16,18-19H2,1H3,(H,32,37)/t21-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139279
PNG
(CHEMBL161202 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)C3CCCC3)c(F)c2)CC1
Show InChI InChI=1S/C29H36FN5O5/c1-20(31-27(36)25-9-4-17-39-25)29(37)35-14-5-12-34(15-16-35)13-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-2-3-8-21/h4,9-11,17,19-21H,2-3,5-8,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139289
PNG
(CHEMBL443817 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CCc4ccccc4)n3)c(F)c2)CC1
Show InChI InChI=1S/C32H36FN5O5/c1-23(34-31(39)28-10-5-20-42-28)32(40)38-17-6-15-37(18-19-38)16-7-21-41-25-12-13-26(27(33)22-25)30-35-29(43-36-30)14-11-24-8-3-2-4-9-24/h2-5,8-10,12-13,20,22-23H,6-7,11,14-19,21H2,1H3,(H,34,39)/t23-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50119707
PNG
(4-[3-(4-Hexanoyl-phenoxy)-propyl]-piperazine-1-car...)
Show SMILES CCCCCC(=O)c1ccc(OCCCN2CCN(CC2)C(=O)OCC)cc1
Show InChI InChI=1S/C22H34N2O4/c1-3-5-6-8-21(25)19-9-11-20(12-10-19)28-18-7-13-23-14-16-24(17-15-23)22(26)27-4-2/h9-12H,3-8,13-18H2,1-2H3
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139338
PNG
(CHEMBL157585 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)C3CC3)c(F)c2)CC1
Show InChI InChI=1S/C26H30FN5O5/c1-17(28-24(33)22-4-2-14-36-22)26(34)32-12-10-31(11-13-32)9-3-15-35-19-7-8-20(21(27)16-19)23-29-25(37-30-23)18-5-6-18/h2,4,7-8,14,16-18H,3,5-6,9-13,15H2,1H3,(H,28,33)/t17-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139300
PNG
(CHEMBL162129 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES CCC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C28H40FN5O4/c1-3-25(35)30-20(2)28(36)34-14-6-12-33(15-16-34)13-7-17-37-22-10-11-23(24(29)19-22)27-31-26(38-32-27)18-21-8-4-5-9-21/h10-11,19-21H,3-9,12-18H2,1-2H3,(H,30,35)/t20-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139350
PNG
(CHEMBL161743 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES CC(C)CC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C30H44FN5O4/c1-21(2)18-27(37)32-22(3)30(38)36-14-6-12-35(15-16-36)13-7-17-39-24-10-11-25(26(31)20-24)29-33-28(40-34-29)19-23-8-4-5-9-23/h10-11,20-23H,4-9,12-19H2,1-3H3,(H,32,37)/t22-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139303
PNG
(CHEMBL350385 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES COc1ccc(cc1)C(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C33H42FN5O5/c1-23(35-32(40)25-9-11-26(42-2)12-10-25)33(41)39-17-5-15-38(18-19-39)16-6-20-43-27-13-14-28(29(34)22-27)31-36-30(44-37-31)21-24-7-3-4-8-24/h9-14,22-24H,3-8,15-21H2,1-2H3,(H,35,40)/t23-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139311
PNG
(CHEMBL162595 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)CCN1CCOCC1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H45FN6O5/c1-23(33-28(39)9-11-37-16-19-41-20-17-37)31(40)38-14-12-36(13-15-38)10-4-18-42-25-7-8-26(27(32)22-25)30-34-29(43-35-30)21-24-5-2-3-6-24/h7-8,22-24H,2-6,9-21H2,1H3,(H,33,39)/t23-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139273
PNG
(2-(4-Cyano-phenyl)-N-[(R)-2-(4-{3-[4-(5-cyclopenty...)
Show SMILES C[C@@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C32H37FN6O4/c1-22(35-31(40)25-9-7-24(21-34)8-10-25)32(41)39-16-14-38(15-17-39)13-4-18-42-26-11-12-27(28(33)20-26)30-36-29(43-37-30)19-23-5-2-3-6-23/h7-12,20,22-23H,2-6,13-19H2,1H3,(H,35,40)/t22-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139285
PNG
(CHEMBL351192 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C32H39F2N5O4/c1-22(35-31(40)24-8-10-25(33)11-9-24)32(41)39-16-4-14-38(17-18-39)15-5-19-42-26-12-13-27(28(34)21-26)30-36-29(43-37-30)20-23-6-2-3-7-23/h8-13,21-23H,2-7,14-20H2,1H3,(H,35,40)/t22-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139333
PNG
(CHEMBL347909 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccc(O)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H38FN5O5/c1-21(33-30(39)23-7-9-24(38)10-8-23)31(40)37-16-14-36(15-17-37)13-4-18-41-25-11-12-26(27(32)20-25)29-34-28(42-35-29)19-22-5-2-3-6-22/h7-12,20-22,38H,2-6,13-19H2,1H3,(H,33,39)/t21-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139348
PNG
(CHEMBL161479 | Furan-2-carboxylic acid ((R)-2-{4-[...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)c(F)c2)CC1
Show InChI InChI=1S/C25H30FN3O5/c1-17(27-24(31)22-4-2-14-34-22)25(32)29-12-10-28(11-13-29)9-3-15-33-19-7-8-20(21(26)16-19)23(30)18-5-6-18/h2,4,7-8,14,16-18H,3,5-6,9-13,15H2,1H3,(H,27,31)/t17-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139265
PNG
(CHEMBL351101 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES CC(C)C(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C29H42FN5O4/c1-20(2)28(36)31-21(3)29(37)35-14-6-12-34(15-16-35)13-7-17-38-23-10-11-24(25(30)19-23)27-32-26(39-33-27)18-22-8-4-5-9-22/h10-11,19-22H,4-9,12-18H2,1-3H3,(H,31,36)/t21-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139306
PNG
(CHEMBL161785 | Pentanoic acid [(R)-2-(4-{3-[4-(5-c...)
Show SMILES CCCCC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C30H44FN5O4/c1-3-4-11-27(37)32-22(2)30(38)36-16-7-14-35(17-18-36)15-8-19-39-24-12-13-25(26(31)21-24)29-33-28(40-34-29)20-23-9-5-6-10-23/h12-13,21-23H,3-11,14-20H2,1-2H3,(H,32,37)/t22-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139337
PNG
(CHEMBL158802 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccc(C)cc1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C33H42FN5O4/c1-23-9-11-26(12-10-23)32(40)35-24(2)33(41)39-17-5-15-38(18-19-39)16-6-20-42-27-13-14-28(29(34)22-27)31-36-30(43-37-31)21-25-7-3-4-8-25/h9-14,22,24-25H,3-8,15-21H2,1-2H3,(H,35,40)/t24-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139275
PNG
(CHEMBL161056 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)C3CC3)c(F)c2)CC1
Show InChI InChI=1S/C27H32FN5O5/c1-18(29-25(34)23-5-2-15-37-23)27(35)33-12-3-10-32(13-14-33)11-4-16-36-20-8-9-21(22(28)17-20)24-30-26(38-31-24)19-6-7-19/h2,5,8-9,15,17-19H,3-4,6-7,10-14,16H2,1H3,(H,29,34)/t18-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139274
PNG
(4-Cyano-N-[(R)-2-(4-{3-[4-(5-cyclopentylmethyl-[1,...)
Show SMILES C[C@@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C33H39FN6O4/c1-23(36-32(41)26-10-8-25(22-35)9-11-26)33(42)40-16-4-14-39(17-18-40)15-5-19-43-27-12-13-28(29(34)21-27)31-37-30(44-38-31)20-24-6-2-3-7-24/h8-13,21,23-24H,2-7,14-20H2,1H3,(H,36,41)/t23-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139297
PNG
(2-(3-Cyano-phenyl)-N-[(R)-2-(4-{3-[4-(5-cyclopenty...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)C#N)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C32H37FN6O4/c1-22(35-31(40)25-9-4-8-24(18-25)21-34)32(41)39-15-13-38(14-16-39)12-5-17-42-26-10-11-27(28(33)20-26)30-36-29(43-37-30)19-23-6-2-3-7-23/h4,8-11,18,20,22-23H,2-3,5-7,12-17,19H2,1H3,(H,35,40)/t22-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139329
PNG
(CHEMBL345860 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H37F2N5O4/c1-21(34-30(39)23-7-9-24(32)10-8-23)31(40)38-16-14-37(15-17-38)13-4-18-41-25-11-12-26(27(33)20-25)29-35-28(42-36-29)19-22-5-2-3-6-22/h7-12,20-22H,2-6,13-19H2,1H3,(H,34,39)/t21-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139339
PNG
(CHEMBL158765 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(Cc4ccccc4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H34FN5O5/c1-22(33-30(38)27-10-5-18-41-27)31(39)37-15-6-13-36(16-17-37)14-7-19-40-24-11-12-25(26(32)21-24)29-34-28(42-35-29)20-23-8-3-2-4-9-23/h2-5,8-12,18,21-22H,6-7,13-17,19-20H2,1H3,(H,33,38)/t22-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139294
PNG
(CHEMBL14720 | Furan-2-carboxylic acid [(R)-2-(4-{3...)
Show SMILES CC(C)Cc1nc(no1)-c1ccc(OCCCN2CCCN(CC2)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1F
Show InChI InChI=1S/C28H36FN5O5/c1-19(2)17-25-31-26(32-39-25)22-9-8-21(18-23(22)29)37-16-6-11-33-10-5-12-34(14-13-33)28(36)20(3)30-27(35)24-7-4-15-38-24/h4,7-9,15,18-20H,5-6,10-14,16-17H2,1-3H3,(H,30,35)/t20-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139328
PNG
(CHEMBL348279 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)-c3ccoc3)c(F)c2)CC1
Show InChI InChI=1S/C28H30FN5O6/c1-19(30-26(35)24-5-2-14-39-24)28(36)34-11-3-9-33(12-13-34)10-4-15-38-21-6-7-22(23(29)17-21)25-31-27(40-32-25)20-8-16-37-18-20/h2,5-8,14,16-19H,3-4,9-13,15H2,1H3,(H,30,35)/t19-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139304
PNG
(1,2-Dihydro-pyrazine-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1cnccn1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1
Show InChI InChI=1S/C29H30FN7O4/c1-20(33-27(38)25-19-31-10-11-32-25)29(39)37-15-13-36(14-16-37)12-5-17-40-22-8-9-23(24(30)18-22)26-34-28(41-35-26)21-6-3-2-4-7-21/h2-4,6-11,18-20H,5,12-17H2,1H3,(H,33,38)/t20-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139331
PNG
(CHEMBL350741 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1cccnc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C30H37FN6O4/c1-21(33-29(38)23-8-4-11-32-20-23)30(39)37-15-13-36(14-16-37)12-5-17-40-24-9-10-25(26(31)19-24)28-34-27(41-35-28)18-22-6-2-3-7-22/h4,8-11,19-22H,2-3,5-7,12-18H2,1H3,(H,33,38)/t21-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139280
PNG
(CHEMBL346710 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H36Cl2FN5O4/c1-20(35-30(40)22-7-10-25(32)26(33)18-22)31(41)39-14-12-38(13-15-39)11-4-16-42-23-8-9-24(27(34)19-23)29-36-28(43-37-29)17-21-5-2-3-6-21/h7-10,18-21H,2-6,11-17H2,1H3,(H,35,40)/t20-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139295
PNG
(CHEMBL351918 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES COc1ccc(cc1)C(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C32H40FN5O5/c1-22(34-31(39)24-8-10-25(41-2)11-9-24)32(40)38-17-15-37(16-18-38)14-5-19-42-26-12-13-27(28(33)21-26)30-35-29(43-36-30)20-23-6-3-4-7-23/h8-13,21-23H,3-7,14-20H2,1-2H3,(H,34,39)/t22-/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 for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139340
PNG
(CHEMBL347251 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(C)=O)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C27H38FN5O4/c1-19(29-20(2)34)27(35)33-13-5-11-32(14-15-33)12-6-16-36-22-9-10-23(24(28)18-22)26-30-25(37-31-26)17-21-7-3-4-8-21/h9-10,18-19,21H,3-8,11-17H2,1-2H3,(H,29,34)/t19-/m1/s1
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139336
PNG
(CHEMBL159085 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C30H44FN5O4/c1-21(32-29(38)30(2,3)4)28(37)36-15-7-13-35(16-17-36)14-8-18-39-23-11-12-24(25(31)20-23)27-33-26(40-34-27)19-22-9-5-6-10-22/h11-12,20-22H,5-10,13-19H2,1-4H3,(H,32,38)/t21-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139332
PNG
(CHEMBL158056 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES CC(C)c1nc(no1)-c1ccc(OCCCN2CCCN(CC2)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1F
Show InChI InChI=1S/C27H34FN5O5/c1-18(2)26-30-24(31-38-26)21-9-8-20(17-22(21)28)36-16-6-11-32-10-5-12-33(14-13-32)27(35)19(3)29-25(34)23-7-4-15-37-23/h4,7-9,15,17-19H,5-6,10-14,16H2,1-3H3,(H,29,34)/t19-/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 for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139266
PNG
(CHEMBL161283 | Furan-2-carboxylic acid {(R)-2-[4-(...)
Show SMILES CCC(CC)c1nc(no1)-c1ccc(OCCCN2CCCN(CC2)C(=O)[C@@H](C)NC(=O)c2ccco2)cc1F
Show InChI InChI=1S/C29H38FN5O5/c1-4-21(5-2)28-32-26(33-40-28)23-11-10-22(19-24(23)30)38-18-8-13-34-12-7-14-35(16-15-34)29(37)20(3)31-27(36)25-9-6-17-39-25/h6,9-11,17,19-21H,4-5,7-8,12-16,18H2,1-3H3,(H,31,36)/t20-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139322
PNG
(1,6-Dihydro-pyridine-3-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1cccnc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1
Show InChI InChI=1S/C30H31FN6O4/c1-21(33-28(38)23-9-5-12-32-20-23)30(39)37-16-14-36(15-17-37)13-6-18-40-24-10-11-25(26(31)19-24)27-34-29(41-35-27)22-7-3-2-4-8-22/h2-5,7-12,19-21H,6,13-18H2,1H3,(H,33,38)/t21-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139256
PNG
(CHEMBL158595 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccc(cc1)N(C)C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C33H43FN6O4/c1-23(35-32(41)25-9-11-26(12-10-25)38(2)3)33(42)40-18-16-39(17-19-40)15-6-20-43-27-13-14-28(29(34)22-27)31-36-30(44-37-31)21-24-7-4-5-8-24/h9-14,22-24H,4-8,15-21H2,1-3H3,(H,35,41)/t23-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139312
PNG
(CHEMBL160729 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1
Show InChI InChI=1S/C29H30FN5O5/c1-20(31-27(36)25-9-5-17-39-25)29(37)35-15-13-34(14-16-35)12-6-18-38-22-10-11-23(24(30)19-22)26-32-28(40-33-26)21-7-3-2-4-8-21/h2-5,7-11,17,19-20H,6,12-16,18H2,1H3,(H,31,36)/t20-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139298
PNG
(CHEMBL352439 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccccc1C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C32H40FN5O4/c1-22-8-3-6-11-26(22)31(39)34-23(2)32(40)38-17-15-37(16-18-38)14-7-19-41-25-12-13-27(28(33)21-25)30-35-29(42-36-30)20-24-9-4-5-10-24/h3,6,8,11-13,21,23-24H,4-5,7,9-10,14-20H2,1-2H3,(H,34,39)/t23-/m1/s1
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2.40n/an/an/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139292
PNG
(CHEMBL161346 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)C3CCCCC3)c(F)c2)CC1
Show InChI InChI=1S/C30H38FN5O5/c1-21(32-28(37)26-10-5-18-40-26)30(38)36-15-6-13-35(16-17-36)14-7-19-39-23-11-12-24(25(31)20-23)27-33-29(41-34-27)22-8-3-2-4-9-22/h5,10-12,18,20-22H,2-4,6-9,13-17,19H2,1H3,(H,32,37)/t21-/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 for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139335
PNG
(CHEMBL162355 | Furan-2-carboxylic acid {(R)-2-[4-(...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC(C)(C)C)n3)c(F)c2)CC1
Show InChI InChI=1S/C29H38FN5O5/c1-20(31-27(36)24-8-5-16-39-24)28(37)35-13-6-11-34(14-15-35)12-7-17-38-21-9-10-22(23(30)18-21)26-32-25(40-33-26)19-29(2,3)4/h5,8-10,16,18,20H,6-7,11-15,17,19H2,1-4H3,(H,31,36)/t20-/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 for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139323
PNG
(CHEMBL350998 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES COc1ccc(cc1OC)C(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C33H42FN5O6/c1-22(35-32(40)24-9-12-28(42-2)29(20-24)43-3)33(41)39-16-14-38(15-17-39)13-6-18-44-25-10-11-26(27(34)21-25)31-36-30(45-37-31)19-23-7-4-5-8-23/h9-12,20-23H,4-8,13-19H2,1-3H3,(H,35,40)/t22-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139287
PNG
(CHEMBL161568 | Pentanoic acid [(R)-2-(4-{3-[4-(5-c...)
Show SMILES CCCCC(=O)N[C@H](C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C29H42FN5O4/c1-3-4-10-26(36)31-21(2)29(37)35-16-14-34(15-17-35)13-7-18-38-23-11-12-24(25(30)20-23)28-32-27(39-33-28)19-22-8-5-6-9-22/h11-12,20-22H,3-10,13-19H2,1-2H3,(H,31,36)/t21-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139291
PNG
(CHEMBL161627 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)-c3ccsc3)c(F)c2)CC1
Show InChI InChI=1S/C28H30FN5O5S/c1-19(30-26(35)24-5-2-14-38-24)28(36)34-11-3-9-33(12-13-34)10-4-15-37-21-6-7-22(23(29)17-21)25-31-27(39-32-25)20-8-16-40-18-20/h2,5-8,14,16-19H,3-4,9-13,15H2,1H3,(H,30,35)/t19-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139301
PNG
(CHEMBL345143 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1cccc(c1)N(C)C)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C33H43FN6O4/c1-23(35-32(41)25-10-6-11-26(21-25)38(2)3)33(42)40-17-15-39(16-18-40)14-7-19-43-27-12-13-28(29(34)22-27)31-36-30(44-37-31)20-24-8-4-5-9-24/h6,10-13,21-24H,4-5,7-9,14-20H2,1-3H3,(H,35,41)/t23-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139318
PNG
(4-Cyano-N-[(R)-2-(4-{3-[3-fluoro-4-(5-phenyl-[1,2,...)
Show SMILES C[C@@H](NC(=O)c1ccc(cc1)C#N)C(=O)N1CCN(CCCOc2ccc(-c3noc(n3)-c3ccccc3)c(F)c2)CC1
Show InChI InChI=1S/C32H31FN6O4/c1-22(35-30(40)24-10-8-23(21-34)9-11-24)32(41)39-17-15-38(16-18-39)14-5-19-42-26-12-13-27(28(33)20-26)29-36-31(43-37-29)25-6-3-2-4-7-25/h2-4,6-13,20,22H,5,14-19H2,1H3,(H,35,40)/t22-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139260
PNG
(CHEMBL157534 | Furan-2-carboxylic acid [(R)-2-(4-{...)
Show SMILES C[C@@H](NC(=O)c1ccco1)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H40FN5O5/c1-22(33-30(38)27-10-5-18-41-27)31(39)37-15-6-13-36(16-17-37)14-7-19-40-24-11-12-25(26(32)21-24)29-34-28(42-35-29)20-23-8-3-2-4-9-23/h5,10-12,18,21-23H,2-4,6-9,13-17,19-20H2,1H3,(H,33,38)/t22-/m1/s1
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Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139269
PNG
(2-(2-Chloro-phenyl)-N-[(R)-2-(4-{3-[4-(5-cyclopent...)
Show SMILES C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H37ClFN5O4/c1-21(34-30(39)24-9-4-5-10-26(24)32)31(40)38-16-14-37(15-17-38)13-6-18-41-23-11-12-25(27(33)20-23)29-35-28(42-36-29)19-22-7-2-3-8-22/h4-5,9-12,20-22H,2-3,6-8,13-19H2,1H3,(H,34,39)/t21-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139254
PNG
(4-Methyl-pentanoic acid [(R)-2-(4-{3-[4-(5-cyclope...)
Show SMILES CC(C)CCC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H46FN5O4/c1-22(2)10-13-28(38)33-23(3)31(39)37-16-6-14-36(17-18-37)15-7-19-40-25-11-12-26(27(32)21-25)30-34-29(41-35-30)20-24-8-4-5-9-24/h11-12,21-24H,4-10,13-20H2,1-3H3,(H,33,38)/t23-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139317
PNG
(2-(4-Chloro-phenyl)-N-[(R)-2-(4-{3-[4-(5-cyclopent...)
Show SMILES C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H37ClFN5O4/c1-21(34-30(39)23-7-9-24(32)10-8-23)31(40)38-16-14-37(15-17-38)13-4-18-41-25-11-12-26(27(33)20-25)29-35-28(42-36-29)19-22-5-2-3-6-22/h7-12,20-22H,2-6,13-19H2,1H3,(H,34,39)/t21-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139302
PNG
(CHEMBL158662 | N-[(R)-2-(4-{3-[4-(5-Cyclopentylmet...)
Show SMILES C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1
Show InChI InChI=1S/C31H37F2N5O4/c1-21(34-30(39)25-9-4-5-10-26(25)32)31(40)38-16-14-37(15-17-38)13-6-18-41-23-11-12-24(27(33)20-23)29-35-28(42-36-29)19-22-7-2-3-8-22/h4-5,9-12,20-22H,2-3,6-8,13-19H2,1H3,(H,34,39)/t21-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50139309
PNG
((R)-2-Amino-1-(4-{3-[4-(5-cyclopropyl-[1,2,4]oxadi...)
Show SMILES C[C@@H](N)C(=O)N1CCCN(CCCOc2ccc(-c3noc(n3)C3CC3)c(F)c2)CC1
Show InChI InChI=1S/C22H30FN5O3/c1-15(24)22(29)28-10-2-8-27(11-12-28)9-3-13-30-17-6-7-18(19(23)14-17)20-25-21(31-26-20)16-4-5-16/h6-7,14-16H,2-5,8-13,24H2,1H3/t15-/m1/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat histamine H3 receptor on rat cortical cells


Bioorg Med Chem Lett 14: 673-6 (2004)


BindingDB Entry DOI: 10.7270/Q2H994MH
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%