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Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'sallander' and Initial = 'j'   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50030815
PNG
(CHEMBL404594)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)CC)C(O)=O |wU:8.7,25.27,wD:41.44,4.4,15.16,29.31,45.48,2.2,62.65,(8.44,-18.06,;9.36,-17.24,;9.05,-15.73,;7.88,-15.34,;10.19,-14.7,;9.88,-13.19,;11.03,-12.16,;12.2,-12.55,;10.71,-10.66,;11.74,-9.51,;10.97,-8.18,;9.46,-8.5,;9.33,-10.02,;7.99,-10.79,;7.99,-12.02,;6.66,-10.02,;5.32,-10.79,;5.32,-12.33,;4.07,-13.22,;4.55,-14.68,;6.09,-14.68,;6.56,-13.21,;6.66,-8.48,;5.33,-7.71,;4.43,-8.22,;5.33,-6.17,;3.99,-5.39,;4,-3.85,;5.06,-3.24,;2.66,-3.08,;1.33,-3.85,;-.01,-3.08,;-1.34,-3.84,;-2.67,-3.07,;-2.67,-1.53,;-3.73,-.91,;-1.33,-.76,;,-1.54,;2.67,-1.54,;4,-.77,;5.07,-1.39,;4.01,.77,;5.35,1.53,;5.36,3.07,;4.29,3.69,;6.69,3.84,;6.7,5.37,;8.04,6.14,;8.04,7.68,;9.38,8.44,;9.39,9.99,;10.45,10.6,;8.32,10.61,;8.03,3.06,;8.02,1.52,;6.94,.91,;9.35,.74,;9.34,-.8,;10.22,-1.32,;2.68,1.54,;1.61,.93,;2.69,2.78,;6.66,-5.4,;7.73,-6.01,;6.66,-3.86,;7.73,-3.24,;11.66,-15.17,;11.91,-16.38,;12.58,-14.35,)|
Show InChI InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50236697
PNG
(5-L-isoleucineangiotensin II | 5-isoleucine-angiot...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |wU:4.4,47.47,60.63,35.36,20.21,wD:2.2,24.32,8.17,64.66,(24.13,1.24,;24.1,-.31,;25.42,-1.09,;26.77,-.35,;25.4,-2.63,;24.05,-3.38,;22.73,-2.59,;22.75,-1.05,;21.38,-3.34,;21.36,-4.88,;22.68,-5.66,;24.01,-4.93,;25.33,-5.71,;25.32,-7.24,;26.64,-8.05,;23.97,-8.01,;22.65,-7.22,;20.06,-2.55,;18.71,-3.29,;18.68,-4.83,;17.38,-2.5,;16.04,-3.25,;14.72,-2.46,;14.74,-.92,;13.37,-3.2,;13.34,-4.74,;14.66,-5.53,;14.64,-7.08,;15.96,-7.87,;15.93,-9.4,;14.59,-10.16,;17.25,-10.21,;12.05,-2.42,;10.69,-3.15,;10.67,-4.69,;9.37,-2.36,;8.03,-3.1,;9.4,-.82,;10.75,-.07,;12.07,-.88,;10.78,1.47,;17.41,-.96,;18.76,-.21,;16.1,-.17,;26.72,-3.43,;26.69,-4.97,;28.07,-2.68,;29.38,-3.48,;30.73,-2.73,;30.75,-1.19,;29.53,-.27,;30.03,1.18,;31.57,1.17,;32.02,-.31,;29.35,-5.02,;28.01,-5.76,;30.54,-5.79,;31.99,-5.25,;32.95,-6.46,;32.1,-7.74,;30.62,-7.33,;29.33,-8.36,;27.89,-7.82,;29.58,-9.88,;28.39,-10.86,;26.95,-10.32,;25.76,-11.3,;26.02,-12.81,;24.84,-13.79,;23.4,-13.26,;23.14,-11.74,;24.32,-10.75,;28.64,-12.38,;27.45,-13.36,;30.08,-12.92,)|
Show InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-3...


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50009338
PNG
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)
Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)|
Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50156173
PNG
((1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-12-30-23(27)25-32(28,29)22-21(14-20(31-22)13-17(2)3)19-8-6-18(7-9-19)15-26-11-10-24-16-26/h6-11,14,16-17H,4-5,12-13,15H2,1-3H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50199326
PNG
(CHEMBL217673 | N-butyloxycarbonyl-2-(4-imidazol-1-...)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C25H31N3O4S/c1-4-5-14-32-25(29)27-33(30,31)24-11-8-21(15-19(2)3)16-23(24)22-9-6-20(7-10-22)17-28-13-12-26-18-28/h6-13,16,18-19H,4-5,14-15,17H2,1-3H3,(H,27,29)
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0.700n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
BDBM86428
PNG
(SB-258585)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1N1CCN(C)CC1
Show InChI InChI=1S/C18H22IN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3
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0.75n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at mouse wild type 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF as...


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304001
PNG
(CHEMBL584690 | [4-(4-Methylpiperazin-1-yl)-1H-benz...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N4O/c1-26-12-14-27(15-13-26)20-11-5-10-19-21(20)25-23(24-19)22(28)18-9-4-7-16-6-2-3-8-17(16)18/h2-11H,12-15H2,1H3,(H,24,25)
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5n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
BDBM50304001
PNG
(CHEMBL584690 | [4-(4-Methylpiperazin-1-yl)-1H-benz...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N4O/c1-26-12-14-27(15-13-26)20-11-5-10-19-21(20)25-23(24-19)22(28)18-9-4-7-16-6-2-3-8-17(16)18/h2-11H,12-15H2,1H3,(H,24,25)
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5n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at mouse wild type 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF as...


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267832
PNG
(1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2
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7n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267739
PNG
(1-{(2Z)-4-[4-(1-Naphthyl)piperazin-1-yl]but-2-enyl...)
Show SMILES O=C1Cc2ccccc2N1C\C=C/CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-13H,14-20H2/b6-5-
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11.5n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50145197
PNG
(CHEMBL3394207)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C25H31N3O4S/c1-4-5-13-32-25(29)27-33(30,31)24-10-9-20(14-19(2)3)16-23(24)22-8-6-7-21(15-22)17-28-12-11-26-18-28/h6-12,15-16,18-19H,4-5,13-14,17H2,1-3H3,(H,27,29)
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12n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304003
PNG
(1-Naphthyl(4-piperazin-1-yl-1H-benzimidazol-2-yl)m...)
Show SMILES O=C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H20N4O/c27-21(17-8-3-6-15-5-1-2-7-16(15)17)22-24-18-9-4-10-19(20(18)25-22)26-13-11-23-12-14-26/h1-10,23H,11-14H2,(H,24,25)
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13n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304003
PNG
(1-Naphthyl(4-piperazin-1-yl-1H-benzimidazol-2-yl)m...)
Show SMILES O=C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H20N4O/c27-21(17-8-3-6-15-5-1-2-7-16(15)17)22-24-18-9-4-10-19(20(18)25-22)26-13-11-23-12-14-26/h1-10,23H,11-14H2,(H,24,25)
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15n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267737
PNG
(1-{5-[4-(1-Naphthyl)piperazin-1-yl]pentyl}-1,3-dih...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O/c31-27-21-23-10-3-5-13-25(23)30(27)16-7-1-6-15-28-17-19-29(20-18-28)26-14-8-11-22-9-2-4-12-24(22)26/h2-5,8-14H,1,6-7,15-21H2
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16n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50303997
PNG
(2-Benzyl-4-(4-methylpiperazin-1-yl)-1H-benzimidazo...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(Cc3ccccc3)nc12
Show InChI InChI=1S/C19H22N4/c1-22-10-12-23(13-11-22)17-9-5-8-16-19(17)21-18(20-16)14-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,20,21)
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16n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304002
PNG
(2-(1-Naphthylmethyl)-4-piperazin-1-yl-1H-benzimida...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H22N4/c1-2-8-18-16(5-1)6-3-7-17(18)15-21-24-19-9-4-10-20(22(19)25-21)26-13-11-23-12-14-26/h1-10,23H,11-15H2,(H,24,25)
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16n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304002
PNG
(2-(1-Naphthylmethyl)-4-piperazin-1-yl-1H-benzimida...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1cccc2ccccc12
Show InChI InChI=1S/C22H22N4/c1-2-8-18-16(5-1)6-3-7-17(18)15-21-24-19-9-4-10-20(22(19)25-21)26-13-11-23-12-14-26/h1-10,23H,11-15H2,(H,24,25)
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16n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50303999
PNG
(4-(4-Methylpiperazin-1-yl)-2-(2-naphthylmethyl)-1H...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H22N4/c1-2-5-18-14-16(8-9-17(18)4-1)15-21-24-19-6-3-7-20(22(19)25-21)26-12-10-23-11-13-26/h1-9,14,23H,10-13,15H2,(H,24,25)
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17n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50030814
PNG
(CHEMBL2086892)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C23H29N3O4S2/c1-4-5-11-30-23(27)25-32(28,29)22-21(14-20(31-22)12-17(2)3)19-8-6-7-18(13-19)15-26-10-9-24-16-26/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,25,27)
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18n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267738
PNG
(1-{5-[4-(1H)-benzimidazol-4-yl)piperazin-1-yl]pent...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C24H29N5O/c30-23-17-19-7-2-3-9-21(19)29(23)12-5-1-4-11-27-13-15-28(16-14-27)22-10-6-8-20-24(22)26-18-25-20/h2-3,6-10,18H,1,4-5,11-17H2,(H,25,26)
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18.1n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267694
PNG
(1-{4-[4-(1-Naphthyl)piperazin-1-yl]butyl}-1,3-dihy...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,5-6,14-20H2
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22n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267783
PNG
(1-{4-[4-(1-Naphthyl)piperazin-1-yl]but-2-ynyl}-1,3...)
Show SMILES O=C1Cc2ccccc2N1CC#CCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H25N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,14-20H2
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26n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304000
PNG
(4-(4-Methylpiperazin-1-yl)-2-(1-naphthylmethyl)-1H...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(Cc3cccc4ccccc34)nc12
Show InChI InChI=1S/C23H24N4/c1-26-12-14-27(15-13-26)21-11-5-10-20-23(21)25-22(24-20)16-18-8-4-7-17-6-2-3-9-19(17)18/h2-11H,12-16H2,1H3,(H,24,25)
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27n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50303998
PNG
(2-Benzyl-4-piperazin-1-yl-1H-benzimidazole | CHEMB...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20N4/c1-2-5-14(6-3-1)13-17-20-15-7-4-8-16(18(15)21-17)22-11-9-19-10-12-22/h1-8,19H,9-13H2,(H,20,21)
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31n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT6 receptor expressed in COS7 cells assessed as inhibition of seratonin-induced cAMP accumulation by HTRF assay


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50216042
PNG
(1-(4-(4-phenyl-1-piperazinyl)butyl)indolin-2-one |...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)Cc3ccccc23)CC1
Show InChI InChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-20-9-3-2-8-19(20)18-23(26)27/h2-5,8-11H,6-7,12-18H2,1H3
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32n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304001
PNG
(CHEMBL584690 | [4-(4-Methylpiperazin-1-yl)-1H-benz...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)C(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H22N4O/c1-26-12-14-27(15-13-26)20-11-5-10-19-21(20)25-23(24-19)22(28)18-9-4-7-16-6-2-3-8-17(16)18/h2-11H,12-15H2,1H3,(H,24,25)
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34n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50304000
PNG
(4-(4-Methylpiperazin-1-yl)-2-(1-naphthylmethyl)-1H...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(Cc3cccc4ccccc34)nc12
Show InChI InChI=1S/C23H24N4/c1-26-12-14-27(15-13-26)21-11-5-10-20-23(21)25-22(24-20)16-18-8-4-7-17-6-2-3-9-19(17)18/h2-11H,12-16H2,1H3,(H,24,25)
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36.2n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267740
PNG
(1-{(2E)-4-[4-(1-Naphthyl)piperazin-1-yl]but-2-enyl...)
Show SMILES O=C1Cc2ccccc2N1C\C=C\CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-13H,14-20H2/b6-5+
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39n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50049182
PNG
((S)-5-Benzyloxy-2-diphenylacetyl-6-methoxy-1,2,3,4...)
Show SMILES COc1ccc2CN([C@@H](Cc2c1OCc1ccccc1)C(O)=O)C(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H29NO5/c1-37-28-18-17-25-20-33(31(34)29(23-13-7-3-8-14-23)24-15-9-4-10-16-24)27(32(35)36)19-26(25)30(28)38-21-22-11-5-2-6-12-22/h2-18,27,29H,19-21H2,1H3,(H,35,36)/t27-/m0/s1
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40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity to type-2 angiotensin-2 receptor (unknown origin)


Bioorg Med Chem Lett 26: 1355-9 (2016)


BindingDB Entry DOI: 10.7270/Q2SN0BT6
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267694
PNG
(1-{4-[4-(1-Naphthyl)piperazin-1-yl]butyl}-1,3-dihy...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H29N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,5-6,14-20H2
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47n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50303999
PNG
(4-(4-Methylpiperazin-1-yl)-2-(2-naphthylmethyl)-1H...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H22N4/c1-2-5-18-14-16(8-9-17(18)4-1)15-21-24-19-6-3-7-20(22(19)25-21)26-12-10-23-11-13-26/h1-9,14,23H,10-13,15H2,(H,24,25)
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49n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50303998
PNG
(2-Benzyl-4-piperazin-1-yl-1H-benzimidazole | CHEMB...)
Show SMILES C(c1nc2c(cccc2[nH]1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H20N4/c1-2-5-14(6-3-1)13-17-20-15-7-4-8-16(18(15)21-17)22-11-9-19-10-12-22/h1-8,19H,9-13H2,(H,20,21)
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58n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267695
PNG
(1-[5-(4-Phenylpiperazin-1-yl)pentyl]-1,3-dihydro-2...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C23H29N3O/c27-23-19-20-9-5-6-12-22(20)26(23)14-8-2-7-13-24-15-17-25(18-16-24)21-10-3-1-4-11-21/h1,3-6,9-12H,2,7-8,13-19H2
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63n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267696
PNG
(1-{5-[4-(2-Methoxyphenyl)piperazin-1-yl]pentyl}-1,...)
Show SMILES COc1ccccc1N1CCN(CCCCCN2C(=O)Cc3ccccc23)CC1
Show InChI InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)26-17-15-25(16-18-26)13-7-2-8-14-27-21-10-4-3-9-20(21)19-24(27)28/h3-6,9-12H,2,7-8,13-19H2,1H3
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63n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50303997
PNG
(2-Benzyl-4-(4-methylpiperazin-1-yl)-1H-benzimidazo...)
Show SMILES CN1CCN(CC1)c1cccc2[nH]c(Cc3ccccc3)nc12
Show InChI InChI=1S/C19H22N4/c1-22-10-12-23(13-11-22)17-9-5-8-16-19(17)21-18(20-16)14-15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,20,21)
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66.8n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting


J Med Chem 53: 1357-69 (2010)


Article DOI: 10.1021/jm901672k
BindingDB Entry DOI: 10.7270/Q2Z320KQ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267738
PNG
(1-{5-[4-(1H)-benzimidazol-4-yl)piperazin-1-yl]pent...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C24H29N5O/c30-23-17-19-7-2-3-9-21(19)29(23)12-5-1-4-11-27-13-15-28(16-14-27)22-10-6-8-20-24(22)26-18-25-20/h2-3,6-10,18H,1,4-5,11-17H2,(H,25,26)
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68n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267737
PNG
(1-{5-[4-(1-Naphthyl)piperazin-1-yl]pentyl}-1,3-dih...)
Show SMILES O=C1Cc2ccccc2N1CCCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C27H31N3O/c31-27-21-23-10-3-5-13-25(23)30(27)16-7-1-6-15-28-17-19-29(20-18-28)26-14-8-11-22-9-2-4-12-24(22)26/h2-5,8-14H,1,6-7,15-21H2
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69n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267740
PNG
(1-{(2E)-4-[4-(1-Naphthyl)piperazin-1-yl]but-2-enyl...)
Show SMILES O=C1Cc2ccccc2N1C\C=C\CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-13H,14-20H2/b6-5+
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69n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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74n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50240359
PNG
(1-(5-(4-phenylpiperazin-1-yl)pentyl)benzo[cd]indol...)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2ccccc2)c2cccc3cccc1c23
Show InChI InChI=1S/C26H29N3O/c30-26-23-13-7-9-21-10-8-14-24(25(21)23)29(26)16-6-2-5-15-27-17-19-28(20-18-27)22-11-3-1-4-12-22/h1,3-4,7-14H,2,5-6,15-20H2
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89n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267833
PNG
(1-[3-(3,4-Dihydroisoquinolin-2(1H)-yl)propyl]-1,3-...)
Show SMILES O=C1Cc2ccccc2N1CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C20H22N2O/c23-20-14-17-7-3-4-9-19(17)22(20)12-5-11-21-13-10-16-6-1-2-8-18(16)15-21/h1-4,6-9H,5,10-15H2
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105n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50216039
PNG
(1-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)-ind...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O/c26-22-18-19-8-4-5-11-21(19)25(22)13-7-6-12-23-14-16-24(17-15-23)20-9-2-1-3-10-20/h1-5,8-11H,6-7,12-18H2
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124n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50216047
PNG
(2-(4-(4-phenyl-1-piperazinyl)butyl)-1-isoindolinon...)
Show SMILES COc1ccccc1N1CCN(CCCCN2Cc3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H29N3O2/c1-28-22-11-5-4-10-21(22)25-16-14-24(15-17-25)12-6-7-13-26-18-19-8-2-3-9-20(19)23(26)27/h2-5,8-11H,6-7,12-18H2,1H3
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158n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267786
PNG
(1-[4-(4-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23-18-21-10-4-5-11-22(21)25(23)15-7-6-14-24-16-12-20(13-17-24)19-8-2-1-3-9-19/h1-5,8-11,20H,6-7,12-18H2
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160n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267785
PNG
(1-(4-{[4-(1-Naphthyl)piperazin-1-yl]methyl}benzyl)...)
Show SMILES O=C1Cc2ccccc2N1Cc1ccc(CN2CCN(CC2)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H29N3O/c34-30-20-26-7-2-4-10-28(26)33(30)22-24-14-12-23(13-15-24)21-31-16-18-32(19-17-31)29-11-5-8-25-6-1-3-9-27(25)29/h1-15H,16-22H2
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181n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267831
PNG
(1-[4-(3-Phenylpiperidin-1-yl)butyl]-1,3-dihydro-2H...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C23H28N2O/c26-23-17-20-11-4-5-13-22(20)25(23)16-7-6-14-24-15-8-12-21(18-24)19-9-2-1-3-10-19/h1-5,9-11,13,21H,6-8,12,14-18H2
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193n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267655
PNG
(2-[5-(4-Phenylpiperazin-1-yl)pentyl]isoindolin-1-o...)
Show SMILES O=C1N(CCCCCN2CCN(CC2)c2ccccc2)Cc2ccccc12
Show InChI InChI=1S/C23H29N3O/c27-23-22-12-6-5-9-20(22)19-26(23)14-8-2-7-13-24-15-17-25(18-16-24)21-10-3-1-4-11-21/h1,3-6,9-12H,2,7-8,13-19H2
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203n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50267832
PNG
(1-[4-(3,4-Dihydroisoquinolin-2(1H)-yl)butyl]-1,3-d...)
Show SMILES O=C1Cc2ccccc2N1CCCCN1CCc2ccccc2C1
Show InChI InChI=1S/C21H24N2O/c24-21-15-18-8-3-4-10-20(18)23(21)13-6-5-12-22-14-11-17-7-1-2-9-19(17)16-22/h1-4,7-10H,5-6,11-16H2
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219n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor expressed in HEK293 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267739
PNG
(1-{(2Z)-4-[4-(1-Naphthyl)piperazin-1-yl]but-2-enyl...)
Show SMILES O=C1Cc2ccccc2N1C\C=C/CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C26H27N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-13H,14-20H2/b6-5-
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250n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50267834
PNG
(1-[2-(3,4-Dihydroisoquinolin-2(1H)-yl)ethyl]-1,3-d...)
Show SMILES O=C1Cc2ccccc2N1CCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H20N2O/c22-19-13-16-6-3-4-8-18(16)21(19)12-11-20-10-9-15-5-1-2-7-17(15)14-20/h1-8H,9-14H2
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350n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells


J Med Chem 52: 2384-92 (2009)


Article DOI: 10.1021/jm8014553
BindingDB Entry DOI: 10.7270/Q2B8580P
More data for this
Ligand-Target Pair
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