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Compile Data Set for Download or QSAR

Found 2190 hits with Last Name = 'hancock' and Initial = 'aa'   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]-prazosin as radioligand


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 478-86 (2002)


Article DOI: 10.1124/jpet.300.2.478
BindingDB Entry DOI: 10.7270/Q2HX1B77
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1A


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50100210
PNG
(6-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
Show InChI InChI=1S/C22H25N3O4S/c1-28-18-5-3-4-14-15(18)7-6-13-11-24(12-16(13)14)8-9-25-21(26)20-17(23-22(25)27)10-19(29-2)30-20/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,23,27)/t13-,16+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50100221
PNG
(7,8-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahy...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)c(OC)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H29N3O5/c1-31-20-6-4-5-16-17(20)8-7-15-13-27(14-19(15)16)11-12-28-24(29)18-9-10-21(32-2)23(33-3)22(18)26-25(28)30/h4-6,9-10,15,19H,7-8,11-14H2,1-3H3,(H,26,30)/t15-,19+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50174619
PNG
(CHEMBL197747 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(cn3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C20H22N4O3/c1-14-3-2-9-23(14)10-8-18-12-15-11-16(4-6-19(15)27-18)22-20-7-5-17(13-21-20)24(25)26/h4-7,11-14H,2-3,8-10H2,1H3,(H,21,22)/t14-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0560n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 478-86 (2002)


Article DOI: 10.1124/jpet.300.2.478
BindingDB Entry DOI: 10.7270/Q2HX1B77
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0580n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1D adrenergic receptor using [3H]-prazosin as radioligand


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1d expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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0.0770n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for affinity at 5-HT uptake site using [3H]paroxetine as radioligand in radioligand binding assay


Bioorg Med Chem Lett 5: 2287-2292 (1995)


Article DOI: 10.1016/0960-894X(95)00398-D
BindingDB Entry DOI: 10.7270/Q2T72HZ0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158590
PNG
(1-(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-b...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C23H25NO2/c1-16-5-4-11-24(16)12-10-22-15-21-14-20(8-9-23(21)26-22)19-7-3-6-18(13-19)17(2)25/h3,6-9,13-16H,4-5,10-12H2,1-2H3/t16-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
HRH3


(Dog)
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1
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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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 887-96 (2003)


Article DOI: 10.1124/jpet.102.047183
BindingDB Entry DOI: 10.7270/Q22J69FK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50174627
PNG
(CHEMBL199245 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cncnc3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-3-2-7-23(14)8-6-18-10-15-9-16(4-5-19(15)24-18)22-17-11-20-13-21-12-17/h4-5,9-14,22H,2-3,6-8H2,1H3/t14-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50074627
PNG
(4-[2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl]-1H-imi...)
Show SMILES CC(C)(C)CCC#CC1CC1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)
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0.0800n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158588
PNG
((3,5-Difluoro-phenyl)-{2-[2-((R)-2-methyl-pyrrolid...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H21F2NO2/c1-14-3-2-7-25(14)8-6-20-12-16-9-15(4-5-21(16)27-20)22(26)17-10-18(23)13-19(24)11-17/h4-5,9-14H,2-3,6-8H2,1H3/t14-/m1/s1
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0.0900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50100214
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(C)c(C)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H29N3O3/c1-15-7-9-20-23(16(15)2)26-25(30)28(24(20)29)12-11-27-13-17-8-10-19-18(21(17)14-27)5-4-6-22(19)31-3/h4-7,9,17,21H,8,10-14H2,1-3H3,(H,26,30)/t17-,21+/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50100238
PNG
(7-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
Show InChI InChI=1S/C24H27N3O4/c1-30-16-7-9-19-21(12-16)25-24(29)27(23(19)28)11-10-26-13-15-6-8-18-17(20(15)14-26)4-3-5-22(18)31-2/h3-5,7,9,12,15,20H,6,8,10-11,13-14H2,1-2H3,(H,25,29)/t15-,20+/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50100229
PNG
(3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]is...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5cc(ccc5c4=O)C#N)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3/c1-31-22-4-2-3-17-18(22)8-6-16-13-27(14-20(16)17)9-10-28-23(29)19-7-5-15(12-25)11-21(19)26-24(28)30/h2-5,7,11,16,20H,6,8-10,13-14H2,1H3,(H,26,30)/t16-,20+/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158596
PNG
((3-Fluoro-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C22H22FNO2/c1-15-4-3-10-24(15)11-9-20-14-18-12-17(7-8-21(18)26-20)22(25)16-5-2-6-19(23)13-16/h2,5-8,12-15H,3-4,9-11H2,1H3/t15-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50174619
PNG
(CHEMBL197747 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccc(cn3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C20H22N4O3/c1-14-3-2-9-23(14)10-8-18-12-15-11-16(4-6-19(15)27-18)22-20-7-5-17(13-21-20)24(25)26/h4-7,11-14H,2-3,8-10H2,1H3,(H,21,22)/t14-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for rat histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM50074629
PNG
(4-[(1R,2R)-2-(5,5-Dimethyl-hex-1-ynyl)-cyclopropyl...)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 165-75 (2005)


Article DOI: 10.1124/jpet.104.078303
BindingDB Entry DOI: 10.7270/Q2SN07JC
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50174621
PNG
(CHEMBL196467 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3cnccn3)ccc2o1
Show InChI InChI=1S/C19H22N4O/c1-14-3-2-9-23(14)10-6-17-12-15-11-16(4-5-18(15)24-17)22-19-13-20-7-8-21-19/h4-5,7-8,11-14H,2-3,6,9-10H2,1H3,(H,21,22)/t14-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200642
PNG
((S)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphtha...)
Show SMILES C[C@H]1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3/t18-/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50174613
PNG
(4-({2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-ben...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3cc(nc(c3)C#N)C#N)ccc2o1
Show InChI InChI=1S/C23H23N5O/c1-16-3-2-7-28(16)8-6-22-10-18-9-17(4-5-23(18)29-22)15-26-19-11-20(13-24)27-21(12-19)14-25/h4-5,9-12,16H,2-3,6-8,15H2,1H3,(H,26,27)/t16-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50174637
PNG
(CHEMBL196294 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccc3[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C20H22N4O3/c1-14-4-3-10-23(14)11-8-17-13-15-12-16(6-7-19(15)27-17)22-20-18(24(25)26)5-2-9-21-20/h2,5-7,9,12-14H,3-4,8,10-11H2,1H3,(H,21,22)/t14-/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1D


(Rattus norvegicus (Rat))
BDBM50099325
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)
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0.170n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro functional activity at Alpha-1B adrenergic receptor in rat spleen


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200641
PNG
(4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)naphthalen-...)
Show SMILES CC1CCCN1CCc1ccc2cc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24N2/c1-18-3-2-13-26(18)14-12-19-4-9-24-16-23(11-10-22(24)15-19)21-7-5-20(17-25)6-8-21/h4-11,15-16,18H,2-3,12-14H2,1H3
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0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
HRH3


(RAT)
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1
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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0.180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 887-96 (2003)


Article DOI: 10.1124/jpet.102.047183
BindingDB Entry DOI: 10.7270/Q22J69FK
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50099320
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1
Show InChI InChI=1S/C19H22N4O3S/c1-26-16-5-3-2-4-15(16)22-10-7-21(8-11-22)9-12-23-18(24)14-6-13-27-17(14)20-19(23)25/h2-6,13H,7-12H2,1H3,(H,20,25)
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0.181n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards bovine Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158607
PNG
((3-Chloro-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClNO2/c1-15-4-3-10-24(15)11-9-20-14-18-12-17(7-8-21(18)26-20)22(25)16-5-2-6-19(23)13-16/h2,5-8,12-15H,3-4,9-11H2,1H3/t15-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158609
PNG
((4-Chloro-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H22ClNO2/c1-15-3-2-11-24(15)12-10-20-14-18-13-17(6-9-21(18)26-20)22(25)16-4-7-19(23)8-5-16/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224191
PNG
((R)-2-(1-(6-ethoxypyridazin-3-yl)-5-methyl-1H-pyra...)
Show SMILES CCOc1ccc(nn1)-n1ncc(c1C)-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1
Show InChI InChI=1S/C26H30N6O/c1-4-33-26-12-11-25(29-30-26)32-19(3)22(17-27-32)24-10-8-21-16-20(7-9-23(21)28-24)13-15-31-14-5-6-18(31)2/h7-12,16-18H,4-6,13-15H2,1-3H3/t18-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha methyl histamine from human H3 receptor expressed in C6 cells


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50174615
PNG
(CHEMBL424842 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc(s3)[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C19H22N4O3S/c1-13-3-2-7-22(13)8-6-16-10-15-9-14(4-5-17(15)26-16)11-20-19-21-12-18(27-19)23(24)25/h4-5,9-10,12-13H,2-3,6-8,11H2,1H3,(H,20,21)/t13-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50222968
PNG
(CIPRALISANT | Cipralisant | GT-2331)
Show SMILES CC(C)(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1
Show InChI InChI=1S/C14H20N2/c1-14(2,3)7-5-4-6-11-8-12(11)13-9-15-10-16-13/h9-12H,5,7-8H2,1-3H3,(H,15,16)/t11-,12-/m1/s1
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0.195n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


Article DOI: 10.1016/s0960-894x(03)00118-5
BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1b expressed in LTK cell


J Med Chem 43: 1586-603 (2000)


Article DOI: 10.1021/jm990567u
BindingDB Entry DOI: 10.7270/Q29C6WNR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM27210
PNG
((2R)-N,3-dimethyl-2-(methylamino)-N-[(1R,2S,5S,6S,...)
Show SMILES CN[C@H](C(C)C)C(=O)N(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]45CN(C)[C@@H](C)[C@H]4CC[C@H]5[C@@H]3CC=C2C1
Show InChI InChI=1S/C29H49N3O/c1-18(2)26(30-5)27(33)32(7)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(6)19(3)23(29)10-11-25(22)29/h8,18-19,21-26,30H,9-17H2,1-7H3/t19-,21-,22+,23+,24-,25-,26+,28-,29-/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 receptor expressed in C6 cells


J Med Chem 52: 4640-9 (2009)


Article DOI: 10.1021/jm900480x
BindingDB Entry DOI: 10.7270/Q2Z31ZNT
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158599
PNG
(CHEMBL369502 | Cyclopropyl-(3-{2-[2-((R)-2-methyl-...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1cccc(c1)C(=O)C1CC1
Show InChI InChI=1S/C25H27NO2/c1-17-4-3-12-26(17)13-11-23-16-22-15-20(9-10-24(22)28-23)19-5-2-6-21(14-19)25(27)18-7-8-18/h2,5-6,9-10,14-18H,3-4,7-8,11-13H2,1H3/t17-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158592
PNG
(CHEMBL368699 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO2/c1-16-5-7-18(8-6-16)23(25)19-9-10-22-20(14-19)15-21(26-22)11-13-24-12-3-4-17(24)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM27210
PNG
((2R)-N,3-dimethyl-2-(methylamino)-N-[(1R,2S,5S,6S,...)
Show SMILES CN[C@H](C(C)C)C(=O)N(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]45CN(C)[C@@H](C)[C@H]4CC[C@H]5[C@@H]3CC=C2C1
Show InChI InChI=1S/C29H49N3O/c1-18(2)26(30-5)27(33)32(7)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(6)19(3)23(29)10-11-25(22)29/h8,18-19,21-26,30H,9-17H2,1-7H3/t19-,21-,22+,23+,24-,25-,26+,28-,29-/m0/s1
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0.210 -55.2n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158603
PNG
((4-Fluoro-3-methyl-phenyl)-{2-[2-((R)-2-methyl-pyr...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)c(C)c1
Show InChI InChI=1S/C23H24FNO2/c1-15-12-17(5-7-21(15)24)23(26)18-6-8-22-19(13-18)14-20(27-22)9-11-25-10-3-4-16(25)2/h5-8,12-14,16H,3-4,9-11H2,1-2H3/t16-/m1/s1
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0.210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50100238
PNG
(7-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1ccc2c(c1)[nH]c(=O)n(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)c2=O
Show InChI InChI=1S/C24H27N3O4/c1-30-16-7-9-19-21(12-16)25-24(29)27(23(19)28)11-10-26-13-15-6-8-18-17(20(15)14-26)4-3-5-22(18)31-2/h3-5,7,9,12,15,20H,6,8,10-11,13-14H2,1-2H3,(H,25,29)/t15-,20+/m0/s1
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0.210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of the compound to rat alpha-1D adrenergic receptor expressed in LTK cells


J Med Chem 44: 1971-85 (2001)


Article DOI: 10.1021/jm000541z
BindingDB Entry DOI: 10.7270/Q2KP81GH
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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0.213n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50200646
PNG
(4'-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-biph...)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H24N2O/c1-17-4-2-13-23(17)14-3-15-24-21-11-9-20(10-12-21)19-7-5-18(16-22)6-8-19/h5-12,17H,2-4,13-15H2,1H3/t17-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells


Bioorg Med Chem Lett 17: 1443-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.073
BindingDB Entry DOI: 10.7270/Q2416WR3
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158605
PNG
(CHEMBL362662 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H23NO2/c1-16-6-5-12-23(16)13-11-20-15-19-14-18(9-10-21(19)25-20)22(24)17-7-3-2-4-8-17/h2-4,7-10,14-16H,5-6,11-13H2,1H3/t16-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50174620
PNG
(CHEMBL371258 | {2-[2-((R)-2-Methyl-pyrrolidin-1-yl...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(Nc3ccccc3[N+]([O-])=O)ccc2o1
Show InChI InChI=1S/C21H23N3O3/c1-15-5-4-11-23(15)12-10-18-14-16-13-17(8-9-21(16)27-18)22-19-6-2-3-7-20(19)24(25)26/h2-3,6-9,13-15,22H,4-5,10-12H2,1H3/t15-/m1/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human histamine H3 receptor using [3H]-N-alpha-methylhistamine


J Med Chem 48: 6482-90 (2005)


Article DOI: 10.1021/jm0504398
BindingDB Entry DOI: 10.7270/Q25D8RDT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50060965
PNG
(2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c6ncccc6sc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]-prazosin as radioligand


J Med Chem 40: 3141-3 (1997)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM27208
PNG
((2S,3S)-2-amino-N,3-dimethyl-N-[(1R,2S,5S,6S,9R,12...)
Show SMILES CC[C@H](C)[C@H](N)C(=O)N(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@]45CN(C)[C@@H](C)[C@H]4CC[C@H]5[C@@H]3CC=C2C1
Show InChI InChI=1S/C29H49N3O/c1-7-18(2)26(30)27(33)32(6)21-12-14-28(4)20(16-21)8-9-22-24(28)13-15-29-17-31(5)19(3)23(29)10-11-25(22)29/h8,18-19,21-26H,7,9-17,30H2,1-6H3/t18-,19-,21-,22+,23+,24-,25-,26-,28-,29-/m0/s1
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0.220 -55.1n/an/an/an/an/a7.425



Abbott Laboratories



Assay Description
Competition radioligand binding assays were performed with increasing concentrations of test compound in the presence of [3H]ligand. All binding reac...


J Med Chem 51: 5423-30 (2008)


Article DOI: 10.1021/jm8003625
BindingDB Entry DOI: 10.7270/Q21G0JK0
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM22541
PNG
(CLOBENPROPIT | Clobenpropit | N''-[(4-chlorophenyl...)
Show SMILES NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1
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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0.220n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 887-96 (2003)


Article DOI: 10.1124/jpet.102.047183
BindingDB Entry DOI: 10.7270/Q22J69FK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50099320
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1
Show InChI InChI=1S/C19H22N4O3S/c1-26-16-5-3-2-4-15(16)22-10-7-21(8-11-22)9-12-23-18(24)14-6-13-27-17(14)20-19(23)25/h2-6,13H,7-12H2,1H3,(H,20,25)
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0.229n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)


Article DOI: 10.1016/s0960-894x(01)00159-7
BindingDB Entry DOI: 10.7270/Q20V8DBQ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50158593
PNG
(1-(3-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-b...)
Show SMILES CCC(=O)c1cccc(c1)-c1ccc2oc(CCN3CCC[C@H]3C)cc2c1
Show InChI InChI=1S/C24H27NO2/c1-3-23(26)20-8-4-7-18(14-20)19-9-10-24-21(15-19)16-22(27-24)11-13-25-12-5-6-17(25)2/h4,7-10,14-17H,3,5-6,11-13H2,1-2H3/t17-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor


J Med Chem 48: 38-55 (2005)


Article DOI: 10.1021/jm040118g
BindingDB Entry DOI: 10.7270/Q2571CST
More data for this
Ligand-Target Pair
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