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Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with all data for entry = 50041071   
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))
BDBM50222968
PNG
(Cipralisant | GT-2331)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.195n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50370569
PNG
(A-349,821 | A-349821)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10-23(11-13-25)22-6-8-24(9-7-22)26(29)27-15-18-30-19-16-27/h6-13,20-21H,3-5,14-19H2,1-2H3/t20-,21-/m0/s1
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0.490n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222963
PNG
(CHEMBL24863)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C28H38N2O2/c1-21-15-18-29(19-16-21)28(31)26-9-7-24(8-10-26)25-11-13-27(14-12-25)32-20-4-17-30-22(2)5-6-23(30)3/h7-14,21-23H,4-6,15-20H2,1-3H3/t22-,23-/m0/s1
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0.603n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222941
PNG
(CHEMBL27501)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C26H34N2O2/c1-20-6-7-21(2)28(20)18-5-19-30-25-14-12-23(13-15-25)22-8-10-24(11-9-22)26(29)27-16-3-4-17-27/h8-15,20-21H,3-7,16-19H2,1-2H3/t20-,21-/m0/s1
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0.692n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50223042
PNG
(CHEMBL283313)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)-c1ccc(OCCCN2[C@@H](C)CC[C@@H]2C)cc1
Show InChI InChI=1S/C26H36N2O2/c1-5-27(6-2)26(29)24-12-10-22(11-13-24)23-14-16-25(17-15-23)30-19-7-18-28-20(3)8-9-21(28)4/h10-17,20-21H,5-9,18-19H2,1-4H3/t20-,21-/m0/s1
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0.776n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50223041
PNG
(CHEMBL280590)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1C
Show InChI InChI=1S/C27H36N2O2/c1-20-6-4-17-29(20)27(30)25-11-9-23(10-12-25)24-13-15-26(16-14-24)31-19-5-18-28-21(2)7-8-22(28)3/h9-16,20-22H,4-8,17-19H2,1-3H3/t20?,21-,22-/m0/s1
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0.776n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50223048
PNG
(CHEMBL25519)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(OCCCN2[C@@H](C)CC[C@@H]2C)cc1
Show InChI InChI=1S/C25H34N2O2/c1-18(2)26-25(28)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29-17-5-16-27-19(3)6-7-20(27)4/h8-15,18-20H,5-7,16-17H2,1-4H3,(H,26,28)/t19-,20-/m0/s1
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0.851n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222951
PNG
(CHEMBL27933)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1[C@@H](C)CC[C@@H]1C
Show InChI InChI=1S/C28H38N2O2/c1-20-6-7-21(2)29(20)18-5-19-32-27-16-14-25(15-17-27)24-10-12-26(13-11-24)28(31)30-22(3)8-9-23(30)4/h10-17,20-23H,5-9,18-19H2,1-4H3/t20-,21-,22-,23-/m0/s1
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0.977n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50223041
PNG
(CHEMBL280590)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1C
Show InChI InChI=1S/C27H36N2O2/c1-20-6-4-17-29(20)27(30)25-11-9-23(10-12-25)24-13-15-26(16-14-24)31-19-5-18-28-21(2)7-8-22(28)3/h9-16,20-22H,4-8,17-19H2,1-3H3/t20?,21-,22-/m0/s1
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1n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222973
PNG
(CHEMBL26880)
Show SMILES O=C(N1CCCC1)c1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H30N2O2/c27-24(26-17-3-4-18-26)22-8-6-20(7-9-22)21-10-12-23(13-11-21)28-19-5-16-25-14-1-2-15-25/h6-13H,1-5,14-19H2
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1.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50370569
PNG
(A-349,821 | A-349821)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10-23(11-13-25)22-6-8-24(9-7-22)26(29)27-15-18-30-19-16-27/h6-13,20-21H,3-5,14-19H2,1-2H3/t20-,21-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50223042
PNG
(CHEMBL283313)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)-c1ccc(OCCCN2[C@@H](C)CC[C@@H]2C)cc1
Show InChI InChI=1S/C26H36N2O2/c1-5-27(6-2)26(29)24-12-10-22(11-13-24)23-14-16-25(17-15-23)30-19-7-18-28-20(3)8-9-21(28)4/h10-17,20-21H,5-9,18-19H2,1-4H3/t20-,21-/m0/s1
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2n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222950
PNG
(CHEMBL279463)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1C
Show InChI InChI=1S/C25H34N2O2/c1-4-26(5-2)17-7-19-29-24-15-13-22(14-16-24)21-9-11-23(12-10-21)25(28)27-18-6-8-20(27)3/h9-16,20H,4-8,17-19H2,1-3H3
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222948
PNG
(CHEMBL25342)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C25H34N2O2/c1-19(2)26-25(28)23-7-5-21(6-8-23)22-9-11-24(12-10-22)29-18-4-15-27-16-13-20(3)14-17-27/h5-12,19-20H,4,13-18H2,1-3H3,(H,26,28)
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2.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222968
PNG
(Cipralisant | GT-2331)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/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 human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222964
PNG
(CHEMBL27697)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H32N2O3/c1-3-25(4-2)14-5-17-29-23-12-10-21(11-13-23)20-6-8-22(9-7-20)24(27)26-15-18-28-19-16-26/h6-13H,3-5,14-19H2,1-2H3
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2.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50223048
PNG
(CHEMBL25519)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(OCCCN2[C@@H](C)CC[C@@H]2C)cc1
Show InChI InChI=1S/C25H34N2O2/c1-18(2)26-25(28)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29-17-5-16-27-19(3)6-7-20(27)4/h8-15,18-20H,5-7,16-17H2,1-4H3,(H,26,28)/t19-,20-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50223038
PNG
(CHEMBL433031)
Show SMILES CC1CCCN1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C27H36N2O2/c1-21-14-18-28(19-15-21)16-4-20-31-26-12-10-24(11-13-26)23-6-8-25(9-7-23)27(30)29-17-3-5-22(29)2/h6-13,21-22H,3-5,14-20H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222957
PNG
(CHEMBL2113223)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCCC2)C1
Show InChI InChI=1S/C26H35N3O2/c1-27(2)24-14-18-28(20-24)15-5-19-31-25-12-10-22(11-13-25)21-6-8-23(9-7-21)26(30)29-16-3-4-17-29/h6-13,24H,3-5,14-20H2,1-2H3/t24-/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 human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222952
PNG
(CHEMBL27665)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H32N2O2/c1-3-25(4-2)16-7-19-28-23-14-12-21(13-15-23)20-8-10-22(11-9-20)24(27)26-17-5-6-18-26/h8-15H,3-7,16-19H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222963
PNG
(CHEMBL24863)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C28H38N2O2/c1-21-15-18-29(19-16-21)28(31)26-9-7-24(8-10-26)25-11-13-27(14-12-25)32-20-4-17-30-22(2)5-6-23(30)3/h7-14,21-23H,4-6,15-20H2,1-3H3/t22-,23-/m0/s1
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3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222938
PNG
(CHEMBL25685)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C26H36N2O2/c1-4-27(5-2)17-6-20-30-25-13-11-23(12-14-25)22-7-9-24(10-8-22)26(29)28-18-15-21(3)16-19-28/h7-14,21H,4-6,15-20H2,1-3H3
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3.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222960
PNG
(CHEMBL27444)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCCC2)CC1
Show InChI InChI=1S/C26H34N2O2/c1-21-13-18-27(19-14-21)15-4-20-30-25-11-9-23(10-12-25)22-5-7-24(8-6-22)26(29)28-16-2-3-17-28/h5-12,21H,2-4,13-20H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50223043
PNG
(CHEMBL25205)
Show SMILES C[C@H]1CC[C@H](C)N1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C28H38N2O2/c1-21-15-18-29(19-16-21)17-4-20-32-27-13-11-25(12-14-27)24-7-9-26(10-8-24)28(31)30-22(2)5-6-23(30)3/h7-14,21-23H,4-6,15-20H2,1-3H3/t22-,23-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50223038
PNG
(CHEMBL433031)
Show SMILES CC1CCCN1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C27H36N2O2/c1-21-14-18-28(19-15-21)16-4-20-31-26-12-10-24(11-13-26)23-6-8-25(9-7-23)27(30)29-17-3-5-22(29)2/h6-13,21-22H,3-5,14-20H2,1-2H3
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3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222948
PNG
(CHEMBL25342)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C25H34N2O2/c1-19(2)26-25(28)23-7-5-21(6-8-23)22-9-11-24(12-10-22)29-18-4-15-27-16-13-20(3)14-17-27/h5-12,19-20H,4,13-18H2,1-3H3,(H,26,28)
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3.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222959
PNG
(CHEMBL2113224)
Show SMILES CC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](C2)N(C)C)cc1
Show InChI InChI=1S/C28H39N3O2/c1-22-13-18-31(19-14-22)28(32)25-7-5-23(6-8-25)24-9-11-27(12-10-24)33-20-4-16-30-17-15-26(21-30)29(2)3/h5-12,22,26H,4,13-21H2,1-3H3/t26-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222951
PNG
(CHEMBL27933)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1[C@@H](C)CC[C@@H]1C
Show InChI InChI=1S/C28H38N2O2/c1-20-6-7-21(2)29(20)18-5-19-32-27-16-14-25(15-17-27)24-10-12-26(13-11-24)28(31)30-22(3)8-9-23(30)4/h10-17,20-23H,5-9,18-19H2,1-4H3/t20-,21-,22-,23-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50223044
PNG
(CHEMBL436340)
Show SMILES C[C@H]1CC[C@H](C)N1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@@H](C2)N(C)C)cc1
Show InChI InChI=1S/C28H39N3O2/c1-21-6-7-22(2)31(21)28(32)25-10-8-23(9-11-25)24-12-14-27(15-13-24)33-19-5-17-30-18-16-26(20-30)29(3)4/h8-15,21-22,26H,5-7,16-20H2,1-4H3/t21-,22-,26-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50223043
PNG
(CHEMBL25205)
Show SMILES C[C@H]1CC[C@H](C)N1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C28H38N2O2/c1-21-15-18-29(19-16-21)17-4-20-32-27-13-11-25(12-14-27)24-7-9-26(10-8-24)28(31)30-22(2)5-6-23(30)3/h7-14,21-23H,4-6,15-20H2,1-3H3/t22-,23-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50223040
PNG
(CHEMBL281640)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CCC(C)CC2)cc1
Show InChI InChI=1S/C26H36N2O2/c1-4-28(5-2)26(29)24-9-7-22(8-10-24)23-11-13-25(14-12-23)30-20-6-17-27-18-15-21(3)16-19-27/h7-14,21H,4-6,15-20H2,1-3H3
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4.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222969
PNG
(CHEMBL282903)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1[C@@H](C)CC[C@@H]1C
Show InChI InChI=1S/C26H36N2O2/c1-5-27(6-2)18-7-19-30-25-16-14-23(15-17-25)22-10-12-24(13-11-22)26(29)28-20(3)8-9-21(28)4/h10-17,20-21H,5-9,18-19H2,1-4H3/t20-,21-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222941
PNG
(CHEMBL27501)
Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C26H34N2O2/c1-20-6-7-21(2)28(20)18-5-19-30-25-14-12-23(13-15-25)22-8-10-24(11-9-22)26(29)27-16-3-4-17-27/h8-15,20-21H,3-7,16-19H2,1-2H3/t20-,21-/m0/s1
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5.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222965
PNG
(CHEMBL2113222)
Show SMILES CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCOCC2)C1
Show InChI InChI=1S/C26H35N3O3/c1-27(2)24-12-14-28(20-24)13-3-17-32-25-10-8-22(9-11-25)21-4-6-23(7-5-21)26(30)29-15-18-31-19-16-29/h4-11,24H,3,12-20H2,1-2H3/t24-/m1/s1
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5.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222939
PNG
(CHEMBL24468)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)NC(C)C
Show InChI InChI=1S/C23H32N2O2/c1-5-25(6-2)16-7-17-27-22-14-12-20(13-15-22)19-8-10-21(11-9-19)23(26)24-18(3)4/h8-15,18H,5-7,16-17H2,1-4H3,(H,24,26)
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6.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222967
PNG
(CHEMBL24198)
Show SMILES O[C@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCOCC2)C1
Show InChI InChI=1S/C24H30N2O4/c27-22-10-12-25(18-22)11-1-15-30-23-8-6-20(7-9-23)19-2-4-21(5-3-19)24(28)26-13-16-29-17-14-26/h2-9,22,27H,1,10-18H2/t22-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222958
PNG
(CHEMBL27339)
Show SMILES O[C@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCCC2)C1
Show InChI InChI=1S/C24H30N2O3/c27-22-12-16-25(18-22)13-3-17-29-23-10-8-20(9-11-23)19-4-6-21(7-5-19)24(28)26-14-1-2-15-26/h4-11,22,27H,1-3,12-18H2/t22-/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 for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222961
PNG
(CHEMBL27835)
Show SMILES CC1CCCN1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@@H](C2)N(C)C)cc1
Show InChI InChI=1S/C27H37N3O2/c1-21-6-4-17-30(21)27(31)24-9-7-22(8-10-24)23-11-13-26(14-12-23)32-19-5-16-29-18-15-25(20-29)28(2)3/h7-14,21,25H,4-6,15-20H2,1-3H3/t21?,25-/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 for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222973
PNG
(CHEMBL26880)
Show SMILES O=C(N1CCCC1)c1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H30N2O2/c27-24(26-17-3-4-18-26)22-8-6-20(7-9-22)21-10-12-23(13-11-21)28-19-5-16-25-14-1-2-15-25/h6-13H,1-5,14-19H2
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6.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222954
PNG
(CHEMBL24865)
Show SMILES CC1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](O)C2)cc1
Show InChI InChI=1S/C26H34N2O3/c1-20-11-16-28(17-12-20)26(30)23-5-3-21(4-6-23)22-7-9-25(10-8-22)31-18-2-14-27-15-13-24(29)19-27/h3-10,20,24,29H,2,11-19H2,1H3/t24-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222946
PNG
(CHEMBL280895)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@@H](C2)N(C)C)cc1
Show InChI InChI=1S/C26H37N3O2/c1-5-29(6-2)26(30)23-10-8-21(9-11-23)22-12-14-25(15-13-22)31-19-7-17-28-18-16-24(20-28)27(3)4/h8-15,24H,5-7,16-20H2,1-4H3/t24-/m0/s1
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6.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222950
PNG
(CHEMBL279463)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1C
Show InChI InChI=1S/C25H34N2O2/c1-4-26(5-2)17-7-19-29-24-15-13-22(14-16-24)21-9-11-23(12-10-21)25(28)27-18-6-8-20(27)3/h9-16,20H,4-8,17-19H2,1-3H3
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7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50217101
PNG
(CHEMBL25688)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C20H22N2O/c21-16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23-15-3-14-22-12-1-2-13-22/h4-11H,1-3,12-15H2
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7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50223039
PNG
(CHEMBL27209)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C26H34N2O3/c1-21-11-14-27(15-12-21)13-2-18-31-25-9-7-23(8-10-25)22-3-5-24(6-4-22)26(29)28-16-19-30-20-17-28/h3-10,21H,2,11-20H2,1H3
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7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222949
PNG
(CHEMBL282062)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](O)C2)cc1
Show InChI InChI=1S/C24H32N2O3/c1-3-26(4-2)24(28)21-8-6-19(7-9-21)20-10-12-23(13-11-20)29-17-5-15-25-16-14-22(27)18-25/h6-13,22,27H,3-5,14-18H2,1-2H3/t22-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50222940
PNG
(CHEMBL282685)
Show SMILES CC(C)N(C)C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](O)C2)cc1
Show InChI InChI=1S/C24H32N2O3/c1-18(2)25(3)24(28)21-7-5-19(6-8-21)20-9-11-23(12-10-20)29-16-4-14-26-15-13-22(27)17-26/h5-12,18,22,27H,4,13-17H2,1-3H3/t22-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50223037
PNG
(CHEMBL25501)
Show SMILES CC1CCCN1C(=O)c1ccc(cc1)-c1ccc(OCCCN2CC[C@H](O)C2)cc1
Show InChI InChI=1S/C25H32N2O3/c1-19-4-2-15-27(19)25(29)22-7-5-20(6-8-22)21-9-11-24(12-10-21)30-17-3-14-26-16-13-23(28)18-26/h5-12,19,23,28H,2-4,13-18H2,1H3/t19?,23-/m0/s1
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8.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222938
PNG
(CHEMBL25685)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCC(C)CC1
Show InChI InChI=1S/C26H36N2O2/c1-4-27(5-2)17-6-20-30-25-13-11-23(12-14-25)22-7-9-24(10-8-22)26(29)28-18-15-21(3)16-19-28/h7-14,21H,4-6,15-20H2,1-3H3
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8.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50223039
PNG
(CHEMBL27209)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C26H34N2O3/c1-21-11-14-27(15-12-21)13-2-18-31-25-9-7-23(8-10-25)22-3-5-24(6-4-22)26(29)28-16-19-30-20-17-28/h3-10,21H,2,11-20H2,1H3
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8.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222964
PNG
(CHEMBL27697)
Show SMILES CCN(CC)CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C24H32N2O3/c1-3-25(4-2)14-5-17-29-23-12-10-21(11-13-23)20-6-8-22(9-7-20)24(27)26-15-18-28-19-16-26/h6-13H,3-5,14-19H2,1-2H3
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8.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
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