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Compile Data Set for Download or QSAR

Found 399 hits with Last Name = 'hashimoto' and Initial = 't'   
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
Substance-P receptor


(Homo sapiens (Human))
BDBM50419354
PNG
(GR205171A | VOFOPITANT DIHYDROCHLORIDE)
Show SMILES COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C(F)(F)F |r|
Show InChI InChI=1S/C21H23F3N6O/c1-31-18-10-9-16(30-20(21(22,23)24)27-28-29-30)12-15(18)13-26-17-8-5-11-25-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,25-26H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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0.0251n/an/an/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting


Bioorg Med Chem 19: 6430-46 (2011)


Article DOI: 10.1016/j.bmc.2011.08.070
BindingDB Entry DOI: 10.7270/Q228081R
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50150945
PNG
(CHEBI:81390 | Immepip)
Show SMILES C(C1CCNCC1)c1c[nH]cn1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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0.501n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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0.870n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475340
PNG
(Methimepip)
Show SMILES CN1CCC(Cc2c[nH]cn2)CC1
Show InChI InChI=1S/C10H17N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h7-9H,2-6H2,1H3,(H,11,12)
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1n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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1.48n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22911
PNG
(2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamide |...)
Show SMILES NC(=N)SCCc1cnc[nH]1
Show InChI InChI=1S/C6H10N4S/c7-6(8)11-2-1-5-3-9-4-10-5/h3-4H,1-2H2,(H3,7,8)(H,9,10)
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1.62n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM85830
PNG
(VUF5202)
Show SMILES Clc1ccc(CNCCCCCc2cnc[nH]2)cc1
Show InChI InChI=1S/C15H20ClN3/c16-14-7-5-13(6-8-14)10-17-9-3-1-2-4-15-11-18-12-19-15/h5-8,11-12,17H,1-4,9-10H2,(H,18,19)
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2.34n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22912
PNG
(VUF 8328 | VUF8328 | {[3-(1H-imidazol-4-yl)propyl]...)
Show SMILES NC(=N)SCCCc1cnc[nH]1
Show InChI InChI=1S/C7H12N4S/c8-7(9)12-3-1-2-6-4-10-5-11-6/h4-5H,1-3H2,(H3,8,9)(H,10,11)
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3.31n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22541
PNG
(Clobenpropit | N''-[(4-chlorophenyl)methyl]{[3-(1H...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|
Show InChI InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
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3.80n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22908
PNG
(4( 5)-( 5-aminopenty1)-lH-imidazole | 5-(1H-imidaz...)
Show SMILES NCCCCCc1cnc[nH]1
Show InChI InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)
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5.01n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22908
PNG
(4( 5)-( 5-aminopenty1)-lH-imidazole | 5-(1H-imidaz...)
Show SMILES NCCCCCc1cnc[nH]1
Show InChI InChI=1S/C8H15N3/c9-5-3-1-2-4-8-6-10-7-11-8/h6-7H,1-5,9H2,(H,10,11)
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5.13n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475338
PNG
(CHEMBL179302)
Show SMILES CN1CCC(CC1)=Cc1c[nH]cn1 |(4.77,1,;3.23,.97,;2.48,-.36,;.94,-.38,;.15,.95,;.89,2.26,;2.46,2.3,;-1.39,.97,;-2.19,-.33,;-3.68,-.63,;-3.87,-2.17,;-2.49,-2.81,;-1.44,-1.69,)|
Show InChI InChI=1S/C10H15N3/c1-13-4-2-9(3-5-13)6-10-7-11-8-12-10/h6-8H,2-5H2,1H3,(H,11,12)
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6.30n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50474425
PNG
(CHEMBL356666)
Show SMILES C1CC(CCN1)=Cc1c[nH]cn1 |(1.48,1.21,;-.04,1.44,;-.6,2.89,;.37,4.08,;1.9,3.85,;2.46,2.41,;-2.12,3.13,;-3.09,1.91,;-4.62,1.98,;-5.16,.53,;-3.97,-.4,;-2.68,.46,)|
Show InChI InChI=1S/C9H13N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h5-7,10H,1-4H2,(H,11,12)
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6.30n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Hrh3 protein


(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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6.46n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22913
PNG
(CHEMBL1237146 | CHEMBL498770 | Iodophenpropit | {[...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
Show InChI InChI=1S/C15H19IN4S/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20)
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7.08n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM85832
PNG
(VUF5300)
Show SMILES C(CCN1CCCCC1)CCc1cnc[nH]1
Show InChI InChI=1S/C13H23N3/c1(3-7-13-11-14-12-15-13)4-8-16-9-5-2-6-10-16/h11-12H,1-10H2,(H,14,15)
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8.91n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
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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9.12n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475348
PNG
(CHEMBL179873)
Show SMILES C(Cc1ccccc1)N1CCC(Cc2c[nH]cn2)CC1
Show InChI InChI=1S/C17H23N3/c1-2-4-15(5-3-1)6-9-20-10-7-16(8-11-20)12-17-13-18-14-19-17/h1-5,13-14,16H,6-12H2,(H,18,19)
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10n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM85829
PNG
(VUF4903)
Show SMILES C(CCNC1CCCCC1)CCc1cnc[nH]1
Show InChI InChI=1S/C14H25N3/c1-3-7-13(8-4-1)16-10-6-2-5-9-14-11-15-12-17-14/h11-13,16H,1-10H2,(H,15,17)
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10.7n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597540
PNG
(CHEMBL5201156)
Show SMILES N[C@@H]1C[C@@H]1c1cc(F)c(Br)c(F)c1 |r|
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11n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM85828
PNG
(VUF4904)
Show SMILES CC(C)NCCCCCc1cnc[nH]1
Show InChI InChI=1S/C11H21N3/c1-10(2)13-7-5-3-4-6-11-8-12-9-14-11/h8-10,13H,3-7H2,1-2H3,(H,12,14)
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12.9n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597542
PNG
(CHEMBL5201621)
Show SMILES N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl |r|
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13n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM85831
PNG
(VUF5207)
Show SMILES CN(C)CCCCCc1cnc[nH]1
Show InChI InChI=1S/C10H19N3/c1-13(2)7-5-3-4-6-10-8-11-9-12-10/h8-9H,3-7H2,1-2H3,(H,11,12)
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15.5n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475354
PNG
(CHEMBL176269)
Show SMILES CCN1CCC(Cc2c[nH]cn2)CC1
Show InChI InChI=1S/C11H19N3/c1-2-14-5-3-10(4-6-14)7-11-8-12-9-13-11/h8-10H,2-7H2,1H3,(H,12,13)
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16n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475350
PNG
(CHEMBL176178)
Show SMILES C(C1CCN(CC1)C1CCCCC1)c1c[nH]cn1
Show InChI InChI=1S/C15H25N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h11-13,15H,1-10H2,(H,16,17)
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16n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50150945
PNG
(CHEBI:81390 | Immepip)
Show SMILES C(C1CCNCC1)c1c[nH]cn1
Show InChI InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
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20n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine binding to SK-N-MC cell membranes expressing human histamine H4 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50409216
PNG
(CHEMBL150701)
Show SMILES C(Cc1cnc[nH]1)C1CCNCC1
Show InChI InChI=1S/C10H17N3/c1(2-10-7-12-8-13-10)9-3-5-11-6-4-9/h7-9,11H,1-6H2,(H,12,13)
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20n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597543
PNG
(CHEMBL5182939)
Show SMILES N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1Cl |r|
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27n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475346
PNG
(CHEMBL177612)
Show SMILES C1CCC(CC1)N1CCC(CC1)=Cc1c[nH]cn1 |(6,.63,;5.26,1.95,;3.72,1.98,;2.95,.68,;3.67,-.66,;5.21,-.7,;1.41,.68,;.61,-.63,;-.9,-.63,;-1.67,.72,;-.88,2.05,;.66,2.02,;-3.23,.75,;-4.03,-.56,;-5.54,-.86,;-5.73,-2.39,;-4.35,-3.04,;-3.29,-1.92,)|
Show InChI InChI=1S/C15H23N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h10-12,15H,1-9H2,(H,16,17)
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32n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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34n/an/an/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Histamine H3 receptor competition binding using [3H]Na-methylhistamine


J Med Chem 46: 3162-5 (2003)


Article DOI: 10.1021/jm0300025
BindingDB Entry DOI: 10.7270/Q24B343F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475355
PNG
(CHEMBL369096)
Show SMILES C(CN1CCC(Cc2c[nH]cn2)CC1)Cc1ccccc1
Show InChI InChI=1S/C18H25N3/c1-2-5-16(6-3-1)7-4-10-21-11-8-17(9-12-21)13-18-14-19-15-20-18/h1-3,5-6,14-15,17H,4,7-13H2,(H,19,20)
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40n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475339
PNG
(CHEMBL176018)
Show SMILES C(Cc1c[nH]cn1)C1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C18H25N3/c1-2-4-16(5-3-1)8-11-21-12-9-17(10-13-21)6-7-18-14-19-15-20-18/h1-5,14-15,17H,6-13H2,(H,19,20)
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40n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Hrh3 protein


(RAT)
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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47.9n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475341
PNG
(CHEMBL175800)
Show SMILES CN1CCC(CCc2c[nH]cn2)CC1
Show InChI InChI=1S/C11H19N3/c1-14-6-4-10(5-7-14)2-3-11-8-12-9-13-11/h8-10H,2-7H2,1H3,(H,12,13)
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50n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475337
PNG
(CHEMBL369819)
Show SMILES C(C1CCN(Cc2ccccc2)CC1)c1c[nH]cn1
Show InChI InChI=1S/C16H21N3/c1-2-4-15(5-3-1)12-19-8-6-14(7-9-19)10-16-11-17-13-18-16/h1-5,11,13-14H,6-10,12H2,(H,17,18)
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50n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475344
PNG
(CHEMBL175741)
Show SMILES CCN1CCC(CC1)=Cc1c[nH]cn1 |(5.08,1,;3.98,2.07,;2.5,1.67,;2.1,.19,;.61,-.22,;-.48,.88,;-.09,2.35,;1.43,2.77,;-1.99,.53,;-2.43,-.94,;-3.79,-1.6,;-3.59,-3.14,;-2.1,-3.42,;-1.36,-2.06,)|
Show InChI InChI=1S/C11H17N3/c1-2-14-5-3-10(4-6-14)7-11-8-12-9-13-11/h7-9H,2-6H2,1H3,(H,12,13)
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50n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475353
PNG
(CHEMBL176105)
Show SMILES CC(C)N1CCC(Cc2c[nH]cn2)CC1
Show InChI InChI=1S/C12H21N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h8-11H,3-7H2,1-2H3,(H,13,14)
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63n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475352
PNG
(CHEMBL179479)
Show SMILES C(Cc1ccccc1)N1CCC(CC1)=Cc1c[nH]cn1 |(1.75,.79,;3.05,-.03,;4.42,.67,;5.67,-.16,;7.05,.53,;7.14,2.08,;5.86,2.91,;4.48,2.21,;.4,.04,;.36,-1.49,;-1.02,-2.22,;-2.32,-1.41,;-2.28,.14,;-.9,.86,;-3.68,-2.12,;-4.97,-1.34,;-6.46,-1.78,;-7.32,-.49,;-6.39,.72,;-4.96,.19,)|
Show InChI InChI=1S/C17H21N3/c1-2-4-15(5-3-1)6-9-20-10-7-16(8-11-20)12-17-13-18-14-19-17/h1-5,12-14H,6-11H2,(H,18,19)
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63n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475343
PNG
(CHEMBL368774)
Show SMILES CC(C)N1CCC(CC1)=Cc1c[nH]cn1 |(4.85,-.29,;4.02,1,;4.71,2.35,;2.46,.93,;1.76,-.44,;.22,-.51,;-.6,.79,;.09,2.14,;1.64,2.24,;-2.17,.76,;-2.91,-.57,;-4.39,-.92,;-4.53,-2.46,;-3.12,-3.06,;-2.1,-1.9,)|
Show InChI InChI=1S/C12H19N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h7-10H,3-6H2,1-2H3,(H,13,14)
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63n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475347
PNG
(CHEMBL176608)
Show SMILES CCN1CCC(CCc2c[nH]cn2)CC1
Show InChI InChI=1S/C12H21N3/c1-2-15-7-5-11(6-8-15)3-4-12-9-13-10-14-12/h9-11H,2-8H2,1H3,(H,13,14)
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63n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Histamine H3 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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66.1n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597536
PNG
(CHEMBL5206853)
Show SMILES N[C@@H]1C[C@@H]1c1ccc(Br)c(F)c1F |r|
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69n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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77.6n/an/an/an/an/an/an/an/a



Vrije Universiteit

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 908-14 (2001)


BindingDB Entry DOI: 10.7270/Q2JS9P1N
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475349
PNG
(CHEMBL175771)
Show SMILES C(Cc1c[nH]cn1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C17H23N3/c1-2-4-16(5-3-1)13-20-10-8-15(9-11-20)6-7-17-12-18-14-19-17/h1-5,12,14-15H,6-11,13H2,(H,18,19)
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79n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597568
PNG
(CHEMBL5173231)
Show SMILES COc1cccc(c1)-c1cc(F)c(cc1F)[C@H]1C[C@@H]1N |r|
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87n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597538
PNG
(CHEMBL5206551)
Show SMILES N[C@@H]1C[C@@H]1c1cc(F)c(Br)cc1F |r|
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94n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597539
PNG
(CHEMBL5186086)
Show SMILES N[C@H]1C[C@@H]1c1cc(F)c(Br)cc1F |r|
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98n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50475342
PNG
(CHEMBL180061)
Show SMILES CC(C)N1CCC(CCc2c[nH]cn2)CC1
Show InChI InChI=1S/C13H23N3/c1-11(2)16-7-5-12(6-8-16)3-4-13-9-14-10-15-13/h9-12H,3-8H2,1-2H3,(H,14,15)
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100n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor


J Med Chem 48: 2100-7 (2005)


Article DOI: 10.1021/jm049475h
BindingDB Entry DOI: 10.7270/Q28K7CVC
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50597541
PNG
(CHEMBL5196815)
Show SMILES N[C@H]1C[C@@H]1c1cc(F)c(Br)c(F)c1 |r|
PDB
MMDB

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110n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00294
BindingDB Entry DOI: 10.7270/Q28S4TZ1
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50170163
PNG
(CHEMBL321860)
Show SMILES C\N=C(\NC[C@H]1CC[C@@H](O1)c1c[nH]cn1)NC#N
Show InChI InChI=1S/C11H16N6O/c1-13-11(16-6-12)15-4-8-2-3-10(18-8)9-5-14-7-17-9/h5,7-8,10H,2-4H2,1H3,(H,14,17)(H2,13,15,16)/t8-,10-/m1/s1
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Similars

Article
PubMed
126n/an/an/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Histamine H4 receptor competition binding using [3H]Na-methylhistamine


J Med Chem 46: 3162-5 (2003)


Article DOI: 10.1021/jm0300025
BindingDB Entry DOI: 10.7270/Q24B343F
More data for this
Ligand-Target Pair
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