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PubMed code 20667729

Compile data set for download or QSAR
Found 86 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325090
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(2-methyl-1H-imid...)
Show SMILES Cc1nccn1-c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C28H34N8/c1-22-29-15-18-35(22)26-13-11-24(12-14-26)27(34-17-6-16-33(19-20-34)25-9-5-10-25)28-30-31-32-36(28)21-23-7-3-2-4-8-23/h2-4,7-8,11-15,18,25,27H,5-6,9-10,16-17,19-21H2,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325082
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES O=C(Nc1ccccc1)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C31H35N7O/c39-31(32-27-11-5-2-6-12-27)26-17-15-25(16-18-26)29(37-20-8-19-36(21-22-37)28-13-7-14-28)30-33-34-35-38(30)23-24-9-3-1-4-10-24/h1-6,9-12,15-18,28-29H,7-8,13-14,19-23H2,(H,32,39)
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n/an/a 0.300n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325065
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1
Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325092
PNG
(4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4...)
Show SMILES Cc1nc(cs1)-c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C28H33N7S/c1-21-29-26(20-36-21)23-11-13-24(14-12-23)27(34-16-6-15-33(17-18-34)25-9-5-10-25)28-30-31-32-35(28)19-22-7-3-2-4-8-22/h2-4,7-8,11-14,20,25,27H,5-6,9-10,15-19H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325065
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1
Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325087
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(4-methylpiperazi...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C29H40N8/c1-33-17-19-35(20-18-33)27-13-11-25(12-14-27)28(36-16-6-15-34(21-22-36)26-9-5-10-26)29-30-31-32-37(29)23-24-7-3-2-4-8-24/h2-4,7-8,11-14,26,28H,5-6,9-10,15-23H2,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325086
PNG
(4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4...)
Show SMILES C(N1CCOCC1)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C29H39N7O/c1-2-6-24(7-3-1)23-36-29(30-31-32-36)28(35-15-5-14-34(16-17-35)27-8-4-9-27)26-12-10-25(11-13-26)22-33-18-20-37-21-19-33/h1-3,6-7,10-13,27-28H,4-5,8-9,14-23H2
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n/an/a 0.600n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325094
PNG
(1-((4-((1H-pyrazol-1-yl)methyl)phenyl)(1-benzyl-1H...)
Show SMILES C(c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1)n1cccn1
Show InChI InChI=1S/C28H34N8/c1-2-7-23(8-3-1)22-36-28(30-31-32-36)27(34-17-6-16-33(19-20-34)26-9-4-10-26)25-13-11-24(12-14-25)21-35-18-5-15-29-35/h1-3,5,7-8,11-15,18,26-27H,4,6,9-10,16-17,19-22H2
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n/an/a 0.700n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325096
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(pyridin-2-yloxy)...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2ccccn2)cc1
Show InChI InChI=1S/C29H33N7O/c1-2-8-23(9-3-1)22-36-29(31-32-33-36)28(35-19-7-18-34(20-21-35)25-10-6-11-25)24-13-15-26(16-14-24)37-27-12-4-5-17-30-27/h1-5,8-9,12-17,25,28H,6-7,10-11,18-22H2
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n/an/a 0.900n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325089
PNG
(1-((4-(1H-pyrazol-1-yl)phenyl)(1-benzyl-1H-tetrazo...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-n1cccn1
Show InChI InChI=1S/C27H32N8/c1-2-7-22(8-3-1)21-35-27(29-30-31-35)26(23-11-13-25(14-12-23)34-18-5-15-28-34)33-17-6-16-32(19-20-33)24-9-4-10-24/h1-3,5,7-8,11-15,18,24,26H,4,6,9-10,16-17,19-21H2
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n/an/a 1.20n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325066
PNG
(1-((4-(1H-1,2,4-triazol-1-yl)phenyl)(1-benzyl-1H-t...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-n1cncn1
Show InChI InChI=1S/C26H31N9/c1-2-6-21(7-3-1)18-34-26(29-30-31-34)25(22-10-12-24(13-11-22)35-20-27-19-28-35)33-15-5-14-32(16-17-33)23-8-4-9-23/h1-3,6-7,10-13,19-20,23,25H,4-5,8-9,14-18H2
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n/an/a 1.60n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325064
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H32N6O2S/c1-34(32,33)23-13-11-21(12-14-23)24(30-16-6-15-29(17-18-30)22-9-5-10-22)25-26-27-28-31(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325051
PNG
((2R)-4-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl...)
Show SMILES C[C@@H]1CN(CCN1C1CCC1)C(c1nnnn1Cc1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H29FN6/c1-18-16-29(14-15-30(18)22-8-5-9-22)23(20-10-12-21(25)13-11-20)24-26-27-28-31(24)17-19-6-3-2-4-7-19/h2-4,6-7,10-13,18,22-23H,5,8-9,14-17H2,1H3/t18-,23?/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325063
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES CNC(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C26H33N7O/c1-27-26(34)22-13-11-21(12-14-22)24(32-16-6-15-31(17-18-32)23-9-5-10-23)25-28-29-30-33(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,34)
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n/an/a 3n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325052
PNG
((2R,6S)-4-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophe...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1C1CCC1)C(c1nnnn1Cc1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H31FN6/c1-18-15-30(16-19(2)32(18)23-9-6-10-23)24(21-11-13-22(26)14-12-21)25-27-28-29-31(25)17-20-7-4-3-5-8-20/h3-5,7-8,11-14,18-19,23-24H,6,9-10,15-17H2,1-2H3/t18-,19+,24?
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n/an/a 3.40n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325093
PNG
(4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-c1csnn1
Show InChI InChI=1S/C26H30N8S/c1-2-6-20(7-3-1)18-34-26(28-29-30-34)25(22-12-10-21(11-13-22)24-19-35-31-27-24)33-15-5-14-32(16-17-33)23-8-4-9-23/h1-3,6-7,10-13,19,23,25H,4-5,8-9,14-18H2
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n/an/a 3.60n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325067
PNG
(1-((4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)(1-ben...)
Show SMILES C(c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1)n1cncn1
Show InChI InChI=1S/C27H33N9/c1-2-6-22(7-3-1)19-36-27(30-31-32-36)26(34-15-5-14-33(16-17-34)25-8-4-9-25)24-12-10-23(11-13-24)18-35-21-28-20-29-35/h1-3,6-7,10-13,20-21,25-26H,4-5,8-9,14-19H2
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n/an/a 4.60n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325095
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(pyridin-2-yl)phe...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C29H33N7/c1-2-8-23(9-3-1)22-36-29(31-32-33-36)28(35-19-7-18-34(20-21-35)26-10-6-11-26)25-15-13-24(14-16-25)27-12-4-5-17-30-27/h1-5,8-9,12-17,26,28H,6-7,10-11,18-22H2
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n/an/a 5.90n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325088
PNG
(1-((4-(1H-pyrrol-1-yl)phenyl)(1-benzyl-1H-tetrazol...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-n1cccc1
Show InChI InChI=1S/C28H33N7/c1-2-8-23(9-3-1)22-35-28(29-30-31-35)27(24-12-14-26(15-13-24)32-16-4-5-17-32)34-19-7-18-33(20-21-34)25-10-6-11-25/h1-5,8-9,12-17,25,27H,6-7,10-11,18-22H2
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n/an/a 6.5n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325084
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C26H35N7O2S/c1-30(2)36(34,35)24-14-12-22(13-15-24)25(32-17-7-16-31(18-19-32)23-10-6-11-23)26-27-28-29-33(26)20-21-8-4-3-5-9-21/h3-5,8-9,12-15,23,25H,6-7,10-11,16-20H2,1-2H3
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n/an/a 6.80n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325091
PNG
(3-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4...)
Show SMILES Cc1nonc1-c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C27H32N8O/c1-20-25(30-36-29-20)22-11-13-23(14-12-22)26(34-16-6-15-33(17-18-34)24-9-5-10-24)27-28-31-32-35(27)19-21-7-3-2-4-8-21/h2-4,7-8,11-14,24,26H,5-6,9-10,15-19H2,1H3
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n/an/a 9.20n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325066
PNG
(1-((4-(1H-1,2,4-triazol-1-yl)phenyl)(1-benzyl-1H-t...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-n1cncn1
Show InChI InChI=1S/C26H31N9/c1-2-6-21(7-3-1)18-34-26(29-30-31-34)25(22-10-12-24(13-11-22)35-20-27-19-28-35)33-15-5-14-32(16-17-33)23-8-4-9-23/h1-3,6-7,10-13,19-20,23,25H,4-5,8-9,14-18H2
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n/an/a 9.20n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325097
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(pyrimidin-2-ylox...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(Oc2ncccn2)cc1
Show InChI InChI=1S/C28H32N8O/c1-2-7-22(8-3-1)21-36-27(31-32-33-36)26(35-18-6-17-34(19-20-35)24-9-4-10-24)23-11-13-25(14-12-23)37-28-29-15-5-16-30-28/h1-3,5,7-8,11-16,24,26H,4,6,9-10,17-21H2
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n/an/a 12n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325063
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES CNC(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C26H33N7O/c1-27-26(34)22-13-11-21(12-14-22)24(32-16-6-15-31(17-18-32)23-9-5-10-23)25-28-29-30-33(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,34)
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n/an/a 12n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325076
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-ethoxyphenyl)meth...)
Show SMILES CCOc1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C26H34N6O/c1-2-33-24-14-12-22(13-15-24)25(31-17-7-16-30(18-19-31)23-10-6-11-23)26-27-28-29-32(26)20-21-8-4-3-5-9-21/h3-5,8-9,12-15,23,25H,2,6-7,10-11,16-20H2,1H3
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n/an/a 14n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325067
PNG
(1-((4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)(1-ben...)
Show SMILES C(c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1)n1cncn1
Show InChI InChI=1S/C27H33N9/c1-2-6-22(7-3-1)19-36-27(30-31-32-36)26(34-15-5-14-33(16-17-34)25-8-4-9-25)24-12-10-23(11-13-24)18-35-21-28-20-29-35/h1-3,6-7,10-13,20-21,25-26H,4-5,8-9,14-19H2
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n/an/a 17n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325064
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H32N6O2S/c1-34(32,33)23-13-11-21(12-14-23)24(30-16-6-15-29(17-18-30)22-9-5-10-22)25-26-27-28-31(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3
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n/an/a 17n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325073
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-cy...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C24H30N6/c1-3-9-20(10-4-1)19-30-24(25-26-27-30)23(21-11-5-2-6-12-21)29-16-8-15-28(17-18-29)22-13-7-14-22/h1-6,9-12,22-23H,7-8,13-19H2
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n/an/a 17n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325081
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES NC(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H31N7O/c26-24(33)21-12-10-20(11-13-21)23(31-15-5-14-30(16-17-31)22-8-4-9-22)25-27-28-29-32(25)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H2,26,33)
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n/an/a 19n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325083
PNG
(1-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4...)
Show SMILES O=C1CCCN1c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C28H35N7O/c36-26-11-5-18-34(26)25-14-12-23(13-15-25)27(33-17-6-16-32(19-20-33)24-9-4-10-24)28-29-30-31-35(28)21-22-7-2-1-3-8-22/h1-3,7-8,12-15,24,27H,4-6,9-11,16-21H2
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n/an/a 21n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325044
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C23H27FN6/c24-20-11-9-19(10-12-20)22(29-15-13-28(14-16-29)21-7-4-8-21)23-25-26-27-30(23)17-18-5-2-1-3-6-18/h1-3,5-6,9-12,21-22H,4,7-8,13-17H2
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n/an/a 25n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325074
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-isopropylphenyl)m...)
Show SMILES CC(C)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C27H36N6/c1-21(2)23-12-14-24(15-13-23)26(32-17-7-16-31(18-19-32)25-10-6-11-25)27-28-29-30-33(27)20-22-8-4-3-5-9-22/h3-5,8-9,12-15,21,25-26H,6-7,10-11,16-20H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325077
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(difluoromethoxy)...)
Show SMILES FC(F)Oc1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H30F2N6O/c26-25(27)34-22-12-10-20(11-13-22)23(32-15-5-14-31(16-17-32)21-8-4-9-21)24-28-29-30-33(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,21,23,25H,4-5,8-9,14-18H2
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n/an/a 28n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325045
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C1CCCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C24H29FN6/c25-21-12-10-20(11-13-21)23(30-16-14-29(15-17-30)22-8-4-5-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2
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n/an/a 31n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325101
PNG
(6-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2cc[nH]c2c1
Show InChI InChI=1S/C26H31N7/c1-2-6-20(7-3-1)19-33-26(28-29-30-33)25(22-11-10-21-12-13-27-24(21)18-22)32-15-5-14-31(16-17-32)23-8-4-9-23/h1-3,6-7,10-13,18,23,25,27H,4-5,8-9,14-17,19H2
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n/an/a 32n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325102
PNG
(5-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES Cn1nnc2cc(ccc12)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H31N9/c1-31-23-12-11-20(17-22(23)26-29-31)24(33-14-6-13-32(15-16-33)21-9-5-10-21)25-27-28-30-34(25)18-19-7-3-2-4-8-19/h2-4,7-8,11-12,17,21,24H,5-6,9-10,13-16,18H2,1H3
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n/an/a 33n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325079
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-chlorophenyl)meth...)
Show SMILES Clc1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C24H29ClN6/c25-21-12-10-20(11-13-21)23(30-15-5-14-29(16-17-30)22-8-4-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2
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n/an/a 34n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325068
PNG
(1-(benzofuran-5-yl(1-benzyl-1H-tetrazol-5-yl)methy...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2occc2c1
Show InChI InChI=1S/C26H30N6O/c1-2-6-20(7-3-1)19-32-26(27-28-29-32)25(22-10-11-24-21(18-22)12-17-33-24)31-14-5-13-30(15-16-31)23-8-4-9-23/h1-3,6-7,10-12,17-18,23,25H,4-5,8-9,13-16,19H2
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n/an/a 41n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325075
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H29F3N6/c26-25(27,28)21-12-10-20(11-13-21)23(33-15-5-14-32(16-17-33)22-8-4-9-22)24-29-30-31-34(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2
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n/an/a 42n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325049
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C24H29FN6/c25-21-12-10-20(11-13-21)23(30-15-5-14-29(16-17-30)22-8-4-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2
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n/an/a 47n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325078
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(trifluoromethoxy...)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H29F3N6O/c26-25(27,28)35-22-12-10-20(11-13-22)23(33-15-5-14-32(16-17-33)21-8-4-9-21)24-29-30-31-34(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,21,23H,4-5,8-9,14-18H2
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n/an/a 51n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325072
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(3-(difluoromethoxy)...)
Show SMILES FC(F)Oc1cccc(c1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H30F2N6O/c26-25(27)34-22-12-4-9-20(17-22)23(32-14-6-13-31(15-16-32)21-10-5-11-21)24-28-29-30-33(24)18-19-7-2-1-3-8-19/h1-4,7-9,12,17,21,23,25H,5-6,10-11,13-16,18H2
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n/an/a 58n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325098
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(2,3-dihydrobenzofur...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2OCCc2c1
Show InChI InChI=1S/C26H32N6O/c1-2-6-20(7-3-1)19-32-26(27-28-29-32)25(22-10-11-24-21(18-22)12-17-33-24)31-14-5-13-30(15-16-31)23-8-4-9-23/h1-3,6-7,10-11,18,23,25H,4-5,8-9,12-17,19H2
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n/an/a 58.5n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325071
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(3-chlorophenyl)meth...)
Show SMILES Clc1cccc(c1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C24H29ClN6/c25-21-10-4-9-20(17-21)23(30-14-6-13-29(15-16-30)22-11-5-12-22)24-26-27-28-31(24)18-19-7-2-1-3-8-19/h1-4,7-10,17,22-23H,5-6,11-16,18H2
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n/an/a 64n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325048
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES CCN1CCCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN6/c1-2-27-13-6-14-28(16-15-27)21(19-9-11-20(23)12-10-19)22-24-25-26-29(22)17-18-7-4-3-5-8-18/h3-5,7-12,21H,2,6,13-17H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325100
PNG
(5-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES Cn1ccc2cc(ccc12)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C27H33N7/c1-31-16-13-22-19-23(11-12-25(22)31)26(33-15-6-14-32(17-18-33)24-9-5-10-24)27-28-29-30-34(27)20-21-7-3-2-4-8-21/h2-4,7-8,11-13,16,19,24,26H,5-6,9-10,14-15,17-18,20H2,1H3
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n/an/a 98n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325103
PNG
(6-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2ncccc2c1
Show InChI InChI=1S/C27H31N7/c1-2-7-21(8-3-1)20-34-27(29-30-31-34)26(23-12-13-25-22(19-23)9-5-14-28-25)33-16-6-15-32(17-18-33)24-10-4-11-24/h1-3,5,7-9,12-14,19,24,26H,4,6,10-11,15-18,20H2
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n/an/a 102n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325080
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-bromophenyl)methy...)
Show SMILES Brc1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C24H29BrN6/c25-21-12-10-20(11-13-21)23(30-15-5-14-29(16-17-30)22-8-4-9-22)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2
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n/an/a 115n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325099
PNG
(5-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C26H31N7/c1-2-6-20(7-3-1)19-33-26(28-29-30-33)25(22-10-11-24-21(18-22)12-13-27-24)32-15-5-14-31(16-17-32)23-8-4-9-23/h1-3,6-7,10-13,18,23,25,27H,4-5,8-9,14-17,19H2
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n/an/a 119n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325068
PNG
(1-(benzofuran-5-yl(1-benzyl-1H-tetrazol-5-yl)methy...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2occc2c1
Show InChI InChI=1S/C26H30N6O/c1-2-6-20(7-3-1)19-32-26(27-28-29-32)25(22-10-11-24-21(18-22)12-17-33-24)31-14-5-13-30(15-16-31)23-8-4-9-23/h1-3,6-7,10-12,17-18,23,25H,4-5,8-9,13-16,19H2
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n/an/a 138n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325056
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC#C)CC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C22H23FN6/c1-2-12-27-13-15-28(16-14-27)21(19-8-10-20(23)11-9-19)22-24-25-26-29(22)17-18-6-4-3-5-7-18/h1,3-11,21H,12-17H2
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n/an/a 184n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325054
PNG
((1S,4S)-2-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophe...)
Show SMILES Fc1ccc(cc1)C(N1C[C@@H]2C[C@H]1CN2C1CCC1)c1nnnn1Cc1ccccc1 |r|
Show InChI InChI=1S/C24H27FN6/c25-19-11-9-18(10-12-19)23(24-26-27-28-31(24)14-17-5-2-1-3-6-17)30-16-21-13-22(30)15-29(21)20-7-4-8-20/h1-3,5-6,9-12,20-23H,4,7-8,13-16H2/t21-,22-,23?/m0/s1
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n/an/a 241n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325046
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H31FN6/c26-22-13-11-21(12-14-22)24(25-27-28-29-32(25)19-20-7-3-1-4-8-20)31-17-15-30(16-18-31)23-9-5-2-6-10-23/h1,3-4,7-8,11-14,23-24H,2,5-6,9-10,15-19H2
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n/an/a 285n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325050
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCCN(CC1)C1CCCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H31FN6/c26-22-13-11-21(12-14-22)24(25-27-28-29-32(25)19-20-7-2-1-3-8-20)31-16-6-15-30(17-18-31)23-9-4-5-10-23/h1-3,7-8,11-14,23-24H,4-6,9-10,15-19H2
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n/an/a 356n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325069
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(2-chlorophenyl)meth...)
Show SMILES Clc1ccccc1C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C24H29ClN6/c25-22-13-5-4-12-21(22)23(30-15-7-14-29(16-17-30)20-10-6-11-20)24-26-27-28-31(24)18-19-8-2-1-3-9-19/h1-5,8-9,12-13,20,23H,6-7,10-11,14-18H2
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325055
PNG
((1R,5S)-3-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophe...)
Show SMILES Fc1ccc(cc1)C(N1C[C@@H]2CC[C@H](C1)N2C1CCC1)c1nnnn1Cc1ccccc1 |r,THB:16:15:8.9.14:11.12|
Show InChI InChI=1S/C25H29FN6/c26-20-11-9-19(10-12-20)24(25-27-28-29-31(25)15-18-5-2-1-3-6-18)30-16-22-13-14-23(17-30)32(22)21-7-4-8-21/h1-3,5-6,9-12,21-24H,4,7-8,13-17H2/t22-,23+,24?
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325085
PNG
(4-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C28H37N7O/c1-2-6-23(7-3-1)22-35-28(29-30-31-35)27(34-15-5-14-32(16-17-34)25-8-4-9-25)24-10-12-26(13-11-24)33-18-20-36-21-19-33/h1-3,6-7,10-13,25,27H,4-5,8-9,14-22H2
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n/an/a 551n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50325067
PNG
(1-((4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)(1-ben...)
Show SMILES C(c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1)n1cncn1
Show InChI InChI=1S/C27H33N9/c1-2-6-22(7-3-1)19-36-27(30-31-32-36)26(34-15-5-14-33(16-17-34)25-8-4-9-25)24-12-10-23(11-13-24)18-35-21-28-20-29-35/h1-3,6-7,10-13,20-21,25-26H,4-5,8-9,14-19H2
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n/an/a 600n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50325066
PNG
(1-((4-(1H-1,2,4-triazol-1-yl)phenyl)(1-benzyl-1H-t...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-n1cncn1
Show InChI InChI=1S/C26H31N9/c1-2-6-21(7-3-1)18-34-26(29-30-31-34)25(22-10-12-24(13-11-22)35-20-27-19-28-35)33-15-5-14-32(16-17-33)23-8-4-9-23/h1-3,6-7,10-13,19-20,23,25H,4-5,8-9,14-18H2
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n/an/a 700n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325047
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES CN1CCCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25FN6/c1-26-12-5-13-27(15-14-26)20(18-8-10-19(22)11-9-18)21-23-24-25-28(21)16-17-6-3-2-4-7-17/h2-4,6-11,20H,5,12-16H2,1H3
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n/an/a 738n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325040
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-me...)
Show SMILES CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50325068
PNG
(1-(benzofuran-5-yl(1-benzyl-1H-tetrazol-5-yl)methy...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2occc2c1
Show InChI InChI=1S/C26H30N6O/c1-2-6-20(7-3-1)19-32-26(27-28-29-32)25(22-10-11-24-21(18-22)12-17-33-24)31-14-5-13-30(15-16-31)23-8-4-9-23/h1-3,6-7,10-12,17-18,23,25H,4-5,8-9,13-16,19H2
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50325063
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES CNC(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C26H33N7O/c1-27-26(34)22-13-11-21(12-14-22)24(32-16-6-15-31(17-18-32)23-9-5-10-23)25-28-29-30-33(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,34)
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50325065
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1
Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325053
PNG
((3R)-1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl...)
Show SMILES C[C@@H]1CN(CCN1)C(c1nnnn1Cc1ccccc1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H23FN6/c1-15-13-26(12-11-22-15)19(17-7-9-18(21)10-8-17)20-23-24-25-27(20)14-16-5-3-2-4-6-16/h2-10,15,19,22H,11-14H2,1H3/t15-,19?/m1/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325070
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(2-(difluoromethoxy)...)
Show SMILES FC(F)Oc1ccccc1C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H30F2N6O/c26-25(27)34-22-13-5-4-12-21(22)23(32-15-7-14-31(16-17-32)20-10-6-11-20)24-28-29-30-33(24)18-19-8-2-1-3-9-19/h1-5,8-9,12-13,20,23,25H,6-7,10-11,14-18H2
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n/an/a 1.89E+3n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50325068
PNG
(1-(benzofuran-5-yl(1-benzyl-1H-tetrazol-5-yl)methy...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc2occc2c1
Show InChI InChI=1S/C26H30N6O/c1-2-6-20(7-3-1)19-32-26(27-28-29-32)25(22-10-11-24-21(18-22)12-17-33-24)31-14-5-13-30(15-16-31)23-8-4-9-23/h1-3,6-7,10-12,17-18,23,25H,4-5,8-9,13-16,19H2
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325060
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCC(CC1)N1CCCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C24H29FN6/c25-21-10-8-20(9-11-21)23(30-16-12-22(13-17-30)29-14-4-5-15-29)24-26-27-28-31(24)18-19-6-2-1-3-7-19/h1-3,6-11,22-23H,4-5,12-18H2
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n/an/a 2.43E+3n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325061
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES CN(C)C1CCCN(C1)C(c1nnnn1Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN6/c1-27(2)20-9-6-14-28(16-20)21(18-10-12-19(23)13-11-18)22-24-25-26-29(22)15-17-7-4-3-5-8-17/h3-5,7-8,10-13,20-21H,6,9,14-16H2,1-2H3
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n/an/a 2.47E+3n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325043
PNG
(CHEMBL1222807 | N1-((1-benzyl-1H-tetrazol-5-yl)(4-...)
Show SMILES CN(C)CCN(C)C(c1nnnn1Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C20H25FN6/c1-25(2)13-14-26(3)19(17-9-11-18(21)12-10-17)20-22-23-24-27(20)15-16-7-5-4-6-8-16/h4-12,19H,13-15H2,1-3H3
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n/an/a 2.74E+3n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325059
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES CN(C)C1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H27FN6/c1-27(2)20-12-14-28(15-13-20)21(18-8-10-19(23)11-9-18)22-24-25-26-29(22)16-17-6-4-3-5-7-17/h3-11,20-21H,12-16H2,1-2H3
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n/an/a 3.61E+3n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325057
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCN(CC2CCCO2)CC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C24H29FN6O/c25-21-10-8-20(9-11-21)23(24-26-27-28-31(24)17-19-5-2-1-3-6-19)30-14-12-29(13-15-30)18-22-7-4-16-32-22/h1-3,5-6,8-11,22-23H,4,7,12-18H2
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n/an/a 4.89E+3n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50325067
PNG
(1-((4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)(1-ben...)
Show SMILES C(c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1)n1cncn1
Show InChI InChI=1S/C27H33N9/c1-2-6-22(7-3-1)19-36-27(30-31-32-36)26(34-15-5-14-33(16-17-34)25-8-4-9-25)24-12-10-23(11-13-24)18-35-21-28-20-29-35/h1-3,6-7,10-13,20-21,25-26H,4-5,8-9,14-19H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325062
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES CN1CCC(CC1)N1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H32FN7/c1-30-13-11-23(12-14-30)31-15-17-32(18-16-31)24(21-7-9-22(26)10-8-21)25-27-28-29-33(25)19-20-5-3-2-4-6-20/h2-10,23-24H,11-19H2,1H3
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n/an/a 1.42E+4n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325042
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCOCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C19H20FN5O/c20-17-8-6-16(7-9-17)18(24-10-12-26-13-11-24)19-21-22-23-25(19)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50325040
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-me...)
Show SMILES CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H4 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325058
PNG
(7-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCn2cnnc2C1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C20H19FN8/c21-17-8-6-16(7-9-17)19(27-10-11-28-14-22-23-18(28)13-27)20-24-25-26-29(20)12-15-4-2-1-3-5-15/h1-9,14,19H,10-13H2
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50325041
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-fluorophenyl)meth...)
Show SMILES Fc1ccc(cc1)C(N1CCCCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C20H22FN5/c21-18-11-9-17(10-12-18)19(25-13-5-2-6-14-25)20-22-23-24-26(20)15-16-7-3-1-4-8-16/h1,3-4,7-12,19H,2,5-6,13-15H2
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50325040
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-me...)
Show SMILES CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H1 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50325040
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-me...)
Show SMILES CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H2 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50325040
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(phenyl)methyl)-4-me...)
Show SMILES CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat histamine H3 receptor


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50325066
PNG
(1-((4-(1H-1,2,4-triazol-1-yl)phenyl)(1-benzyl-1H-t...)
Show SMILES C(c1ccccc1)n1nnnc1C(N1CCCN(CC1)C1CCC1)c1ccc(cc1)-n1cncn1
Show InChI InChI=1S/C26H31N9/c1-2-6-21(7-3-1)18-34-26(29-30-31-34)25(22-10-12-24(13-11-22)35-20-27-19-28-35)33-15-5-14-32(16-17-33)23-8-4-9-23/h1-3,6-7,10-13,19-20,23,25H,4-5,8-9,14-18H2
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n/an/a 2.90E+4n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50325064
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H32N6O2S/c1-34(32,33)23-13-11-21(12-14-23)24(30-16-6-15-29(17-18-30)22-9-5-10-22)25-26-27-28-31(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50325064
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-(methylsulfonyl)p...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C25H32N6O2S/c1-34(32,33)23-13-11-21(12-14-23)24(30-16-6-15-29(17-18-30)22-9-5-10-22)25-26-27-28-31(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,22,24H,5-6,9-10,15-19H2,1H3
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50325065
PNG
(1-((1-benzyl-1H-tetrazol-5-yl)(4-((4-methylpiperaz...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(N2CCCN(CC2)C2CCC2)c2nnnn2Cc2ccccc2)CC1
Show InChI InChI=1S/C30H42N8/c1-34-17-19-35(20-18-34)23-26-11-13-27(14-12-26)29(37-16-6-15-36(21-22-37)28-9-5-10-28)30-31-32-33-38(30)24-25-7-3-2-4-8-25/h2-4,7-8,11-14,28-29H,5-6,9-10,15-24H2,1H3
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Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50325063
PNG
(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-di...)
Show SMILES CNC(=O)c1ccc(cc1)C(N1CCCN(CC1)C1CCC1)c1nnnn1Cc1ccccc1
Show InChI InChI=1S/C26H33N7O/c1-27-26(34)22-13-11-21(12-14-22)24(32-16-6-15-31(17-18-32)23-9-5-10-23)25-28-29-30-33(25)19-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-24H,5-6,9-10,15-19H2,1H3,(H,27,34)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Evotec (UK) Ltd

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 5165-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.009
BindingDB Entry DOI: 10.7270/Q2TQ61RV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%