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Compile Data Set for Download or QSAR

Found 729 hits with Last Name = 'shuto' and Initial = 's'   
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))
BDBM22904
PNG
((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...)
Show SMILES C[C@@H](N)Cc1cnc[nH]1
Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1
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0.880n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Histamine H3 receptor


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127610
PNG
((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...)
Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50127610
PNG
((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...)
Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor


Bioorg Med Chem 18: 1076-82 (2010)


Article DOI: 10.1016/j.bmc.2009.12.046
BindingDB Entry DOI: 10.7270/Q21V5F35
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127604
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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2.70n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127605
PNG
((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127608
PNG
(2-[2-(1H-Imidazol-4-yl)-cyclopropyl]-ethylamine | ...)
Show SMILES NCC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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5.09n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D2S receptor in membrane suspensions by liquid scintillation counter


Bioorg Med Chem 16: 8875-81 (2008)


Article DOI: 10.1016/j.bmc.2008.08.061
BindingDB Entry DOI: 10.7270/Q2WQ03M7
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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5.30n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50318106
PNG
((1S,2R)-2-[(1R)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15+,16-/m0/s1
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6.70n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194205
PNG
((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1
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7.60n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194203
PNG
((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1
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8.40n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194205
PNG
((1R,2S)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m1/s1
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8.40n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Serotonin transporter in cerebral cortical synaptic membrane of rats using [3H]-paroxetine


J Med Chem 41: 3507-14 (1998)


Article DOI: 10.1021/jm980238m
BindingDB Entry DOI: 10.7270/Q2000175
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127603
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m1/s1
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10n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194203
PNG
((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1
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13.9n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50054804
PNG
((1S,2R)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C(C)N)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12?,14-,16+/m0/s1
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14n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Serotonin transporter in cerebral cortical synaptic membrane of rats using [3H]-paroxetine


J Med Chem 41: 3507-14 (1998)


Article DOI: 10.1021/jm980238m
BindingDB Entry DOI: 10.7270/Q2000175
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50054804
PNG
((1S,2R)-2-(1-Amino-ethyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C(C)N)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12(3)17)13-9-7-6-8-10-13/h6-10,12,14H,4-5,11,17H2,1-3H3/t12?,14-,16+/m0/s1
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14n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50318103
PNG
((1R,2S)-2-[(1R)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15-,16+/m0/s1
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19.8n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194211
PNG
((1S,2S)-cis-2-[2-(cyclohexylmethylamino)ethyl]-1-(...)
Show SMILES C(C[C@@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14+/m1/s1
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20.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127609
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m0/s1
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23n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50054802
PNG
((1S,2R)-2-(1-Amino-allyl)-1-phenyl-cyclopropanecar...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C(N)C=C)c1ccccc1
Show InChI InChI=1S/C17H24N2O/c1-4-15(18)14-12-17(14,13-10-8-7-9-11-13)16(20)19(5-2)6-3/h4,7-11,14-15H,1,5-6,12,18H2,2-3H3/t14-,15?,17+/m0/s1
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23n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194206
PNG
((1R,2S)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m1/s1
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31.2n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194209
PNG
((1R,2R)-trans-2-(cyclohexylmethylamino)methyl-1-(1...)
Show SMILES C(NCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m0/s1
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34.4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194206
PNG
((1R,2S)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@@H]1C[C@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m1/s1
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35n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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37.2n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50310163
PNG
((1R,2S)-2-[2-(4-Chlorobenzylamino)ethyl]-1-(5(4)-m...)
Show SMILES Cc1nc[nH]c1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN3/c1-11-16(20-10-19-11)15-8-13(15)6-7-18-9-12-2-4-14(17)5-3-12/h2-5,10,13,15,18H,6-9H2,1H3,(H,19,20)/t13-,15-/m1/s1
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38.7n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylahistamine from human histamine H3 receptor


Bioorg Med Chem 18: 1076-82 (2010)


Article DOI: 10.1016/j.bmc.2009.12.046
BindingDB Entry DOI: 10.7270/Q21V5F35
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127607
PNG
((1R,2R)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
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42n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194212
PNG
((1S,2S)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m1/s1
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43.7n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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51.1n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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51.1n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50318105
PNG
((1S,2R)-2-[(1S)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15-,16+/m1/s1
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63n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127602
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
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65n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50008288
PNG
((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-((R)-1-hydroxy...)
Show SMILES C[C@@H](O)C1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C12H15N5O3/c1-5(18)6-2-7(10(20)9(6)19)17-4-16-8-11(13)14-3-15-12(8)17/h2-5,7,9-10,18-20H,1H3,(H2,13,14,15)/t5-,7-,9-,10+/m1/s1
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86n/an/an/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase


J Med Chem 35: 324-31 (1992)


Article DOI: 10.1021/jm00080a018
BindingDB Entry DOI: 10.7270/Q2RX9B1R
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50194204
PNG
((1S,2R)-cis-2-(4-chlorobenzylamino)methyl-1-(1H-im...)
Show SMILES Clc1ccc(CNC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13-/m0/s1
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88n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine form human H3 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194216
PNG
((1S,2S)-trans-2-(cyclohexylmethylamino)methyl-1-(1...)
Show SMILES C(NCC1CCCCC1)[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m1/s1
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90.4n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50127601
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL5938...)
Show SMILES N[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1
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91n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Affinity against rat Histamine H3 receptor using [3H]-N-alpha-methyl histamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194203
PNG
((1R,2R)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m0/s1
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103n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194210
PNG
((1S,2S)-trans-2-(4-chlorobenzylamino)methyl-1-(1H-...)
Show SMILES Clc1ccc(CNC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13+/m1/s1
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115n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194207
PNG
((1R,2R)-trans-2-(4-chlorobenzylamino)methyl-1-(1H-...)
Show SMILES Clc1ccc(CNC[C@@H]2C[C@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C14H16ClN3/c15-12-3-1-10(2-4-12)6-16-7-11-5-13(11)14-8-17-9-18-14/h1-4,8-9,11,13,16H,5-7H2,(H,17,18)/t11-,13+/m0/s1
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118n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM22914
PNG
(CHEMBL260374 | N-cyclohexyl-4-(1H-imidazol-5-yl)pi...)
Show SMILES S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
Show InChI InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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124n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194202
PNG
((1S,2R)-trans-2-[2-(cyclohexylmethylamino)ethyl]-1...)
Show SMILES C(C[C@H]1C[C@@H]1c1cnc[nH]1)NCC1CCCCC1
Show InChI InChI=1S/C15H25N3/c1-2-4-12(5-3-1)9-16-7-6-13-8-14(13)15-10-17-11-18-15/h10-14,16H,1-9H2,(H,17,18)/t13-,14-/m0/s1
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127n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50318104
PNG
((1R,2S)-2-[(1S)-1-Ethyl-2-(4-chlorobenzylamino)eth...)
Show SMILES CC[C@H](CNCc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15+,16-/m1/s1
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129n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methyl-histamine from human histamine H3 receptor expressed in human HEK293-EBNA cells


J Med Chem 53: 3585-93 (2010)


Article DOI: 10.1021/jm901848b
BindingDB Entry DOI: 10.7270/Q2MP53DM
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194212
PNG
((1S,2S)-cis-2-[2-(4-chlorobenzylamino)ethyl]-1-(1H...)
Show SMILES Clc1ccc(CNCC[C@@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14+/m1/s1
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130n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50194209
PNG
((1R,2R)-trans-2-(cyclohexylmethylamino)methyl-1-(1...)
Show SMILES C(NCC1CCCCC1)[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H23N3/c1-2-4-11(5-3-1)7-15-8-12-6-13(12)14-9-16-10-17-14/h9-13,15H,1-8H2,(H,16,17)/t12-,13+/m0/s1
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143n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine form human H4 receptor


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50310163
PNG
((1R,2S)-2-[2-(4-Chlorobenzylamino)ethyl]-1-(5(4)-m...)
Show SMILES Cc1nc[nH]c1[C@@H]1C[C@H]1CCNCc1ccc(Cl)cc1
Show InChI InChI=1S/C16H20ClN3/c1-11-16(20-10-19-11)15-8-13(15)6-7-18-9-12-2-4-14(17)5-3-12/h2-5,10,13,15,18H,6-9H2,1H3,(H,19,20)/t13-,15-/m1/s1
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148n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human histamine H4 receptor


Bioorg Med Chem 18: 1076-82 (2010)


Article DOI: 10.1016/j.bmc.2009.12.046
BindingDB Entry DOI: 10.7270/Q21V5F35
More data for this
Ligand-Target Pair
Adenosylhomocysteinase


(Mus musculus)
BDBM50006223
PNG
(5-(6-Amino-purin-9-yl)-3-methyl-cyclopent-3-ene-1,...)
Show SMILES CC1=C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C11H13N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h2-4,6,8-9,17-18H,1H3,(H2,12,13,14)/t6-,8-,9+/m1/s1
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150n/an/an/an/an/an/an/an/a



Toyo Jozo Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound against L929 Cell S-adenosyl-L-homocysteine hydrolase


J Med Chem 35: 324-31 (1992)


Article DOI: 10.1021/jm00080a018
BindingDB Entry DOI: 10.7270/Q2RX9B1R
More data for this
Ligand-Target Pair
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