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Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'yamada' 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
Sigma non-opioid intracellular receptor 1


(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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0.440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 |r|
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290098
PNG
((R)-3-Cyclohexylmethyl-1,8,8-trimethyl-3-aza-bicyc...)
Show SMILES CC1(C)C2CC[C@@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C17H31N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15?,17-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290099
PNG
((S)-3-(4-Cyclohexyl-butyl)-1,8,8-trimethyl-3-aza-b...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCCCC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C20H37N/c1-19(2)18-12-13-20(19,3)16-21(15-18)14-8-7-11-17-9-5-4-6-10-17/h17-18H,4-16H2,1-3H3/t18?,20-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290100
PNG
((S)-3-Cyclohexylmethyl-1,8,8-trimethyl-3-aza-bicyc...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C17H31N/c1-16(2)15-9-10-17(16,3)13-18(12-15)11-14-7-5-4-6-8-14/h14-15H,4-13H2,1-3H3/t15?,17-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290095
PNG
((R)-3-(2-Cyclohexyl-ethyl)-1,8,8-trimethyl-3-aza-b...)
Show SMILES CC1(C)C2CC[C@@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3/t16?,18-/m0/s1
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1.40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290096
PNG
((S)-3-(2-Cyclopentyl-ethyl)-1,8,8-trimethyl-3-aza-...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C17H31N/c1-16(2)15-8-10-17(16,3)13-18(12-15)11-9-14-6-4-5-7-14/h14-15H,4-13H2,1-3H3/t15?,17-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290094
PNG
((S)-3-(2-Cyclohexyl-ethyl)-1,8,8-trimethyl-3-aza-b...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C18H33N/c1-17(2)16-9-11-18(17,3)14-19(13-16)12-10-15-7-5-4-6-8-15/h15-16H,4-14H2,1-3H3/t16?,18-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290101
PNG
((S)-3-(3-Cyclohexyl-propyl)-1,8,8-trimethyl-3-aza-...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCCC1CCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C19H35N/c1-18(2)17-11-12-19(18,3)15-20(14-17)13-7-10-16-8-5-4-6-9-16/h16-17H,4-15H2,1-3H3/t17?,19-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290093
PNG
((S)-3-(2-Cyclooctyl-ethyl)-1,8,8-trimethyl-3-aza-b...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C20H37N/c1-19(2)18-11-13-20(19,3)16-21(15-18)14-12-17-9-7-5-4-6-8-10-17/h17-18H,4-16H2,1-3H3/t18?,20-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290092
PNG
((S)-3-(2-Cycloheptyl-ethyl)-1,8,8-trimethyl-3-aza-...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1CCCCCC1)C2 |THB:10:9:1:5.4|
Show InChI InChI=1S/C19H35N/c1-18(2)17-10-12-19(18,3)15-20(14-17)13-11-16-8-6-4-5-7-9-16/h16-17H,4-15H2,1-3H3/t17?,19-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290097
PNG
((S)-3-Cyclohexyl-1,8,8-trimethyl-3-aza-bicyclo[3.2...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(C2)C1CCCCC1 |THB:11:9:1:5.4|
Show InChI InChI=1S/C16H29N/c1-15(2)13-9-10-16(15,3)12-17(11-13)14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3/t13?,16-/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50290091
PNG
((S)-3-(2-Adamantan-2-yl-ethyl)-1,8,8-trimethyl-3-a...)
Show SMILES CC1(C)C2CC[C@]1(C)CN(CCC1C3CC4CC(C3)CC1C4)C2 |wD:6.7,TLB:11:12:14:17.18.16,THB:16:15:12:17.18.19,16:17:12:15.14.21,10:9:1:5.4,11:12:15.14.21:17.18.19,19:20:14:17.18.16,19:17:14:20.12.21,(-7.25,2.8,;-5.75,2.79,;-6.14,4.25,;-4.39,2.21,;-4,.76,;-4.93,-.34,;-4.93,1.16,;-6.43,1.16,;-2.69,2.13,;-1.35,1.44,;-.27,.4,;1.17,.82,;2.25,-.23,;2.88,-1.98,;2.25,-3.46,;3.36,-4.49,;5,-4.47,;5.66,-2.93,;4.41,-2.03,;5.18,-1.24,;3.56,-1.24,;2.87,-2.78,;-2.32,3.17,)|
Show InChI InChI=1S/C22H37N/c1-21(2)19-4-6-22(21,3)14-23(13-19)7-5-20-17-9-15-8-16(11-17)12-18(20)10-15/h15-20H,4-14H2,1-3H3/t15?,16?,17?,18?,19?,20?,22-/m1/s1
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4.30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
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 |r|
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))
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
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 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
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 |r|
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
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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27n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
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 |r|
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 |r|
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
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
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