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PubMed code 12798320

Compile data set for download or QSAR
Found 64 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))
BDBM50129253
PNG
((3-Pyrrolidin-1-yl-propyl)-(7,8,9,10-tetrahydro-6H...)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)CN1CCCC1
Show InChI InChI=1S/C21H29N3/c1-2-9-17-19(11-3-1)23-20-12-5-4-10-18(20)21(17)22-13-8-16-24-14-6-7-15-24/h4-5,10,12H,1-3,6-9,11,13-16H2,(H,22,23)
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H3L receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50129256
PNG
(11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...)
Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2
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1.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50129253
PNG
((3-Pyrrolidin-1-yl-propyl)-(7,8,9,10-tetrahydro-6H...)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)CN1CCCC1
Show InChI InChI=1S/C21H29N3/c1-2-9-17-19(11-3-1)23-20-12-5-4-10-18(20)21(17)22-13-8-16-24-14-6-7-15-24/h4-5,10,12H,1-3,6-9,11,13-16H2,(H,22,23)
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2.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50129254
PNG
(CHEMBL303824 | [2-(1-Methyl-pyrrolidin-2-yl)-ethyl...)
Show SMILES CN1CCCC1CCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C21H29N3/c1-24-15-7-8-16(24)13-14-22-21-17-9-3-2-4-11-19(17)23-20-12-6-5-10-18(20)21/h5-6,10,12,16H,2-4,7-9,11,13-15H2,1H3,(H,22,23)
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6.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H3L receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50129253
PNG
((3-Pyrrolidin-1-yl-propyl)-(7,8,9,10-tetrahydro-6H...)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)CN1CCCC1
Show InChI InChI=1S/C21H29N3/c1-2-9-17-19(11-3-1)23-20-12-5-4-10-18(20)21(17)22-13-8-16-24-14-6-7-15-24/h4-5,10,12H,1-3,6-9,11,13-16H2,(H,22,23)
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6.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50129255
PNG
(CHEMBL65849 | N,N-Dimethyl-N'-(7,8,9,10-tetrahydro...)
Show SMILES CN(C)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C19H27N3/c1-22(2)14-8-13-20-19-15-9-4-3-5-11-17(15)21-18-12-7-6-10-16(18)19/h6-7,10,12H,3-5,8-9,11,13-14H2,1-2H3,(H,20,21)
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9.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50129255
PNG
(CHEMBL65849 | N,N-Dimethyl-N'-(7,8,9,10-tetrahydro...)
Show SMILES CN(C)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C19H27N3/c1-22(2)14-8-13-20-19-15-9-4-3-5-11-17(15)21-18-12-7-6-10-16(18)19/h6-7,10,12H,3-5,8-9,11,13-14H2,1-2H3,(H,20,21)
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9.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H3L receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50129254
PNG
(CHEMBL303824 | [2-(1-Methyl-pyrrolidin-2-yl)-ethyl...)
Show SMILES CN1CCCC1CCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C21H29N3/c1-24-15-7-8-16(24)13-14-22-21-17-9-3-2-4-11-19(17)23-20-12-6-5-10-18(20)21/h5-6,10,12,16H,2-4,7-9,11,13-15H2,1H3,(H,22,23)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50129255
PNG
(CHEMBL65849 | N,N-Dimethyl-N'-(7,8,9,10-tetrahydro...)
Show SMILES CN(C)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C19H27N3/c1-22(2)14-8-13-20-19-15-9-4-3-5-11-17(15)21-18-12-7-6-10-16(18)19/h6-7,10,12H,3-5,8-9,11,13-14H2,1-2H3,(H,20,21)
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22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220983
PNG
(CHEMBL291830)
Show SMILES CN(C)CCCCNc1c2CCCCCc2nc2ccccc12
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39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220983
PNG
(CHEMBL291830)
Show SMILES CN(C)CCCCNc1c2CCCCCc2nc2ccccc12
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44n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220977
PNG
(CHEMBL68547)
Show SMILES [H][C@@]12CN(CCCNc3c4CCCCCc4nc4ccccc34)C[C@]1([H])[C@H]2N
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45n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220980
PNG
(CHEMBL305248)
Show SMILES [H][C@@]12CN(CCCNc3c4CCCCCc4nc4ccccc34)C[C@]1([H])[C@H]2NC(=O)OC(C)(C)C
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47n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220975
PNG
(CHEMBL66336)
Show SMILES CN(C)CCNc1c2CCCCCc2nc2ccccc12
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48n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220980
PNG
(CHEMBL305248)
Show SMILES [H][C@@]12CN(CCCNc3c4CCCCCc4nc4ccccc34)C[C@]1([H])[C@H]2NC(=O)OC(C)(C)C
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220949
PNG
(CHEMBL67495)
Show SMILES CN1CCN(CCCNc2c3CCCCCc3nc3ccccc23)CC1
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220976
PNG
(CHEMBL419993)
Show SMILES CN(C)CCCNc1c2CSCCc2nc2ccccc12
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54n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220976
PNG
(CHEMBL419993)
Show SMILES CN(C)CCCNc1c2CSCCc2nc2ccccc12
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59n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220977
PNG
(CHEMBL68547)
Show SMILES [H][C@@]12CN(CCCNc3c4CCCCCc4nc4ccccc34)C[C@]1([H])[C@H]2N
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74n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50129256
PNG
(11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...)
Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2
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79n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H3L receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50129254
PNG
(CHEMBL303824 | [2-(1-Methyl-pyrrolidin-2-yl)-ethyl...)
Show SMILES CN1CCCC1CCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C21H29N3/c1-24-15-7-8-16(24)13-14-22-21-17-9-3-2-4-11-19(17)23-20-12-6-5-10-18(20)21/h5-6,10,12,16H,2-4,7-9,11,13-15H2,1H3,(H,22,23)
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80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220954
PNG
(CHEMBL66437)
Show SMILES C(CN1CCCCC1)\C=C/c1c2CCCCCc2nc2ccccc12
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87n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220949
PNG
(CHEMBL67495)
Show SMILES CN1CCN(CCCNc2c3CCCCCc3nc3ccccc23)CC1
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98n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220975
PNG
(CHEMBL66336)
Show SMILES CN(C)CCNc1c2CCCCCc2nc2ccccc12
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148n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220956
PNG
(CHEMBL69752)
Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCCc2nc2ccccc12
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158n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220951
PNG
(CHEMBL303676)
Show SMILES CN(C)CCCNc1c2CCCCc2nc2CCCCCc12
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158n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220982
PNG
(CHEMBL65311)
Show SMILES C(CN1CCCC1)C#Cc1c2CCCCCc2nc2ccccc12
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214n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220972
PNG
(CHEMBL304737)
Show SMILES OC[C@@H]1CCN(CCC#Cc2c3CCCCCc3nc3ccccc23)C1
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251n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220954
PNG
(CHEMBL66437)
Show SMILES C(CN1CCCCC1)\C=C/c1c2CCCCCc2nc2ccccc12
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275n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220951
PNG
(CHEMBL303676)
Show SMILES CN(C)CCCNc1c2CCCCc2nc2CCCCCc12
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355n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220845
PNG
(CHEMBL66880)
Show SMILES CN(C)CCC#Cc1c2CCCCCc2nc2ccccc12
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389n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220950
PNG
(CHEMBL67496)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)CN1CCOCC1
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398n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50129256
PNG
(11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...)
Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2
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407n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220973
PNG
(CHEMBL66832)
Show SMILES C(CN1CCCCCC1)C#Cc1c2CCCCCc2nc2ccccc12
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437n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220972
PNG
(CHEMBL304737)
Show SMILES OC[C@@H]1CCN(CCC#Cc2c3CCCCCc3nc3ccccc23)C1
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617n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220982
PNG
(CHEMBL65311)
Show SMILES C(CN1CCCC1)C#Cc1c2CCCCCc2nc2ccccc12
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646n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220956
PNG
(CHEMBL69752)
Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCCc2nc2ccccc12
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646n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220845
PNG
(CHEMBL66880)
Show SMILES CN(C)CCC#Cc1c2CCCCCc2nc2ccccc12
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692n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220981
PNG
(CHEMBL65797)
Show SMILES CN1CCN(CCC#Cc2c3CCCCCc3nc3ccccc23)CC1
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724n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220950
PNG
(CHEMBL67496)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)CN1CCOCC1
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759n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220974
PNG
(CHEMBL68176)
Show SMILES OC[C@H]1CCN(CCC#Cc2c3CCCCCc3nc3ccccc23)C1
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955n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220979
PNG
(CHEMBL67518)
Show SMILES CN(C)CCCN(C(C)=O)c1c2CCCCCc2nc2ccccc12
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220978
PNG
(CHEMBL67712)
Show SMILES CC(C)(C)OC(=O)N1CCCN(CC1)c1c2CCCCCc2nc2ccccc12
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220855
PNG
(CHEMBL68059)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1c2CCCCCc2nc2ccccc12
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220974
PNG
(CHEMBL68176)
Show SMILES OC[C@H]1CCN(CCC#Cc2c3CCCCCc3nc3ccccc23)C1
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220981
PNG
(CHEMBL65797)
Show SMILES CN1CCN(CCC#Cc2c3CCCCCc3nc3ccccc23)CC1
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220955
PNG
(CHEMBL68465)
Show SMILES C(CN1CCOCC1)C#Cc1c2CCCCCc2nc2ccccc12
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220952
PNG
(CHEMBL67368)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)Cn1ccnc1
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220979
PNG
(CHEMBL67518)
Show SMILES CN(C)CCCN(C(C)=O)c1c2CCCCCc2nc2ccccc12
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1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220978
PNG
(CHEMBL67712)
Show SMILES CC(C)(C)OC(=O)N1CCCN(CC1)c1c2CCCCCc2nc2ccccc12
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220952
PNG
(CHEMBL67368)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)Cn1ccnc1
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50129254
PNG
(CHEMBL303824 | [2-(1-Methyl-pyrrolidin-2-yl)-ethyl...)
Show SMILES CN1CCCC1CCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C21H29N3/c1-24-15-7-8-16(24)13-14-22-21-17-9-3-2-4-11-19(17)23-20-12-6-5-10-18(20)21/h5-6,10,12,16H,2-4,7-9,11,13-15H2,1H3,(H,22,23)
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1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H1 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220855
PNG
(CHEMBL68059)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1c2CCCCCc2nc2ccccc12
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220973
PNG
(CHEMBL66832)
Show SMILES C(CN1CCCCCC1)C#Cc1c2CCCCCc2nc2ccccc12
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220953
PNG
(CHEMBL302278)
Show SMILES C1CCc2nc3ccccc3c(N3CCCNCC3)c2CC1
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220953
PNG
(CHEMBL302278)
Show SMILES C1CCc2nc3ccccc3c(N3CCCNCC3)c2CC1
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine receptor (H3 and H4)


(Homo sapiens (Human))
BDBM50220955
PNG
(CHEMBL68465)
Show SMILES C(CN1CCOCC1)C#Cc1c2CCCCCc2nc2ccccc12
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<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL




Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50129254
PNG
(CHEMBL303824 | [2-(1-Methyl-pyrrolidin-2-yl)-ethyl...)
Show SMILES CN1CCCC1CCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C21H29N3/c1-24-15-7-8-16(24)13-14-22-21-17-9-3-2-4-11-19(17)23-20-12-6-5-10-18(20)21/h5-6,10,12,16H,2-4,7-9,11,13-15H2,1H3,(H,22,23)
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1.73E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H2 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50129256
PNG
(11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...)
Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2
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3.21E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H2 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50129253
PNG
((3-Pyrrolidin-1-yl-propyl)-(7,8,9,10-tetrahydro-6H...)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)CN1CCCC1
Show InChI InChI=1S/C21H29N3/c1-2-9-17-19(11-3-1)23-20-12-5-4-10-18(20)21(17)22-13-8-16-24-14-6-7-15-24/h4-5,10,12H,1-3,6-9,11,13-16H2,(H,22,23)
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3.78E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H2 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50129253
PNG
((3-Pyrrolidin-1-yl-propyl)-(7,8,9,10-tetrahydro-6H...)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)CN1CCCC1
Show InChI InChI=1S/C21H29N3/c1-2-9-17-19(11-3-1)23-20-12-5-4-10-18(20)21(17)22-13-8-16-24-14-6-7-15-24/h4-5,10,12H,1-3,6-9,11,13-16H2,(H,22,23)
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4.09E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H1 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50129255
PNG
(CHEMBL65849 | N,N-Dimethyl-N'-(7,8,9,10-tetrahydro...)
Show SMILES CN(C)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C19H27N3/c1-22(2)14-8-13-20-19-15-9-4-3-5-11-17(15)21-18-12-7-6-10-16(18)19/h6-7,10,12H,3-5,8-9,11,13-14H2,1-2H3,(H,20,21)
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7.70E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H1 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50129255
PNG
(CHEMBL65849 | N,N-Dimethyl-N'-(7,8,9,10-tetrahydro...)
Show SMILES CN(C)CCCNc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C19H27N3/c1-22(2)14-8-13-20-19-15-9-4-3-5-11-17(15)21-18-12-7-6-10-16(18)19/h6-7,10,12H,3-5,8-9,11,13-14H2,1-2H3,(H,20,21)
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PC cid
PC sid
UniChem
PubMed
1.01E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H2 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50129256
PNG
(11-(4-Piperidin-1-yl-but-1-ynyl)-7,8,9,10-tetrahyd...)
Show SMILES C(CN1CCCCC1)C#Cc1c2CCCCCc2nc2ccccc12
Show InChI InChI=1S/C23H28N2/c1-3-12-20-19(11-7-10-18-25-16-8-2-9-17-25)21-13-5-6-15-23(21)24-22(20)14-4-1/h5-6,13,15H,1-4,8-10,12,14,16-18H2
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
PubMed
1.57E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its binding affinity towards human H1 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%