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Compile Data Set for Download or QSAR

Found 467 hits with Last Name = 'nirogi' and Initial = 'r'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138119
PNG
(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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0.0300n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138124
PNG
(CHEMBL3753901)
Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
Show InChI InChI=1/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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0.100n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50318633
PNG
(3-benzenesulfonyl-8-piperazin-1-ylquinoline | CHEM...)
Show SMILES O=S(=O)(c1ccccc1)c1cnc2c(cccc2c1)N1CCNCC1
Show InChI InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2
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0.230n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138119
PNG
(CHEMBL3753475)
Show SMILES O=C1N(CCc2cc(OC3CCN(CC3)C3CCC3)ccc12)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C27H39N3O2/c31-27-26-8-7-25(32-24-12-16-29(17-13-24)22-5-2-6-22)19-20(26)9-18-30(27)23-10-14-28(15-11-23)21-3-1-4-21/h7-8,19,21-24H,1-6,9-18H2
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0.800n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50019754
PNG
(IDALOPIRDINE | LU-AE58054)
Show SMILES FC(F)C(F)(F)COc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
Show InChI InChI=1S/C20H19F5N2O/c21-15-4-5-17-14(11-27-18(17)9-15)6-7-26-10-13-2-1-3-16(8-13)28-12-20(24,25)19(22)23/h1-5,8-9,11,19,26-27H,6-7,10,12H2
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0.830n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138120
PNG
(CHEMBL3753093)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)
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0.900n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138122
PNG
(CHEMBL3752655)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
Show InChI InChI=1/C24H37N3O2/c1-18(2)27-14-11-20(17-27)25-24(28)19-7-9-22(10-8-19)29-23-12-15-26(16-13-23)21-5-3-4-6-21/h7-10,18,20-21,23H,3-6,11-17H2,1-2H3,(H,25,28)
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395858
PNG
(CHEMBL2165519)
Show SMILES CN(C)C1CCc2ccc3n(ccc3c2C1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H22N2O2S/c1-21(2)16-10-8-15-9-11-20-18(19(15)14-16)12-13-22(20)25(23,24)17-6-4-3-5-7-17/h3-7,9,11-13,16H,8,10,14H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HeLa cells after 120 mins by scintillation counter in presence of methiothepin


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138123
PNG
(CHEMBL3753703)
Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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1n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138123
PNG
(CHEMBL3753703)
Show SMILES CC(C)CN1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1
Show InChI InChI=1/C23H37N3O2/c1-17(2)15-25-12-9-20(16-25)24-23(27)19-5-7-21(8-6-19)28-22-10-13-26(14-11-22)18(3)4/h5-8,17-18,20,22H,9-16H2,1-4H3,(H,24,27)
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1.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138117
PNG
(CHEMBL3753315)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(C1)C1CCC1
Show InChI InChI=1/C25H37N3O2/c1-18(2)26-13-10-22(11-14-26)30-23-6-7-24-19(16-23)8-15-28(25(24)29)21-9-12-27(17-21)20-4-3-5-20/h6-7,16,18,20-22H,3-5,8-15,17H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236846
PNG
(CHEMBL4080401)
Show SMILES O.O.CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCNCC3)c2c1)S(=O)(=O)c1ccccc1Br
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1.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian Geranylgeranyl transferase type I expressed in baculovirus


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50044616
PNG
(CERLAPIRDINE | Cerlapirdine | PF-05212365 | SAM-53...)
Show SMILES CN(C)CCCOc1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H23N3O3S/c1-25(2)13-6-14-28-17-11-12-20-19(15-17)22(24-23-20)29(26,27)21-10-5-8-16-7-3-4-9-18(16)21/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,24)
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1.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Effective concentration required for agonistic activity at Metabotropic glutamate receptor 2


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163069
PNG
(1-Benzenesulfonyl-5-chloro-3-((R)-1-methyl-pyrroli...)
Show SMILES CN1CCC[C@@H]1Cc1cn(c2ccc(Cl)cc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21ClN2O2S/c1-22-11-5-6-17(22)12-15-14-23(20-10-9-16(21)13-19(15)20)26(24,25)18-7-3-2-4-8-18/h2-4,7-10,13-14,17H,5-6,11-12H2,1H3/t17-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50402702
PNG
(CHEMBL2207386)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C20H22BrN3O2S/c1-22-11-13-23(14-12-22)15-16-5-4-7-19-17(16)9-10-24(19)27(25,26)20-8-3-2-6-18(20)21/h2-10H,11-15H2,1H3
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1.43n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138106
PNG
(CHEMBL3753814)
Show SMILES CC(C)N1CCC(CC1)NC(=O)c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H37N3O2/c1-18(2)26-14-10-20(11-15-26)25-24(28)19-6-8-22(9-7-19)29-23-12-16-27(17-13-23)21-4-3-5-21/h6-9,18,20-21,23H,3-5,10-17H2,1-2H3,(H,25,28)
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1.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395860
PNG
(CHEMBL2165520)
Show SMILES NC1Cc2cn(c3cccc(C1)c23)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H16N2O2S/c18-14-9-12-5-4-8-16-17(12)13(10-14)11-19(16)22(20,21)15-6-2-1-3-7-15/h1-8,11,14H,9-10,18H2
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1.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236844
PNG
(CHEMBL4100484)
Show SMILES CS(O)(=O)=O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
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1.60n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236780
PNG
(CHEMBL4068232)
Show SMILES CCN1CCN(Cc2cn(c3ccc(OC)cc23)S(=O)(=O)c2ccc(cc2)C(C)C)CC1
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1.70n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138118
PNG
(CHEMBL3754200)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc2C(=O)N(CCc2c1)C1CCN(CC1)C1CCC1
Show InChI InChI=1S/C26H39N3O2/c1-19(2)27-15-11-23(12-16-27)31-24-6-7-25-20(18-24)8-17-29(26(25)30)22-9-13-28(14-10-22)21-4-3-5-21/h6-7,18-19,21-23H,3-5,8-17H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395855
PNG
(CHEMBL2165524)
Show SMILES CN(C)C1CCc2c(C1)c1cc(Br)ccc1n2S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H21BrN2O2S/c1-22(2)15-9-11-20-18(13-15)17-12-14(21)8-10-19(17)23(20)26(24,25)16-6-4-3-5-7-16/h3-8,10,12,15H,9,11,13H2,1-2H3
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1.83n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395838
PNG
(CHEMBL2165541)
Show SMILES CN(C)C1CCc2c(C1)c1ccccc1n2S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N2O2S/c1-25(2)15-10-11-20-18(13-15)17-8-3-4-9-19(17)26(20)29(27,28)16-7-5-6-14(12-16)21(22,23)24/h3-9,12,15H,10-11,13H2,1-2H3
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1.92n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236756
PNG
(CHEMBL4101284)
Show SMILES Cl.Cl.COc1ccc2n(cc(CN3CCCN(C)CC3)c2c1)S(=O)(=O)c1ccc(cc1)C(C)C
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2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236754
PNG
(CHEMBL4082473)
Show SMILES O.CS(O)(=O)=O.COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1Br
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2n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Effective concentration required for partial agonistic activity at Metabotropic glutamate receptor 2; Partial agonist


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138124
PNG
(CHEMBL3753901)
Show SMILES CC(C)N1CCC(C1)N1CCc2cc(OC3CCN(CC3)C(C)C)ccc2C1=O
Show InChI InChI=1/C24H37N3O2/c1-17(2)25-12-9-21(10-13-25)29-22-5-6-23-19(15-22)7-14-27(24(23)28)20-8-11-26(16-20)18(3)4/h5-6,15,17-18,20-21H,7-14,16H2,1-4H3
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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236773
PNG
(CHEMBL4065437)
Show SMILES CN1CCN(Cc2cn(c3ccccc23)S(=O)(=O)c2ccc(Br)cc2)CC1
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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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2.10n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to 5HT6 receptor


Bioorg Med Chem Lett 21: 4577-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.106
BindingDB Entry DOI: 10.7270/Q2GH9JBN
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM34141
PNG
(CHEMBL76237 | MS-245)
Show SMILES COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-20(2)12-11-15-14-21(19-10-9-16(24-3)13-18(15)19)25(22,23)17-7-5-4-6-8-17/h4-10,13-14H,11-12H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50130274
PNG
((9-Benzenesulfonyl-6-methoxy-2,3,4,9-tetrahydro-1H...)
Show SMILES COc1ccc2n(c3CCCC(CN(C)C)c3c2c1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H26N2O3S/c1-23(2)15-16-8-7-11-21-22(16)19-14-17(27-3)12-13-20(19)24(21)28(25,26)18-9-5-4-6-10-18/h4-6,9-10,12-14,16H,7-8,11,15H2,1-3H3
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2.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5-HT6 receptor


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50138104
PNG
(CHEMBL3754209)
Show SMILES CC(C)N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCN(C1)C1CCC1
Show InChI InChI=1/C23H35N3O2/c1-17(2)25-14-11-22(12-15-25)28-21-8-6-18(7-9-21)23(27)24-19-10-13-26(16-19)20-4-3-5-20/h6-9,17,19-20,22H,3-5,10-16H2,1-2H3,(H,24,27)
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2.5n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor


Eur J Med Chem 108: 655-62 (2016)


BindingDB Entry DOI: 10.7270/Q2F191KF
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345760
PNG
(1-(Benzenesulfonyl)-5-(piperazin-1-yl-methyl)-1H-i...)
Show SMILES O=S(=O)(c1ccccc1)n1ccc2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H21N3O2S/c23-25(24,18-4-2-1-3-5-18)22-11-8-17-14-16(6-7-19(17)22)15-21-12-9-20-10-13-21/h1-8,11,14,20H,9-10,12-13,15H2
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2.52n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345777
PNG
(1-(2-Bromo benzenesulfonyl)-5-(4-ethylpiperazin-1-...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1
Show InChI InChI=1S/C21H24BrN3O2S/c1-2-23-11-13-24(14-12-23)16-17-7-8-20-18(15-17)9-10-25(20)28(26,27)21-6-4-3-5-19(21)22/h3-10,15H,2,11-14,16H2,1H3
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2.56n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345758
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(piperazin...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)n1cc(Cl)c2cc(CN3CCNCC3)ccc12
Show InChI InChI=1S/C19H19ClFN3O2S/c20-18-13-24(27(25,26)16-4-2-15(21)3-5-16)19-6-1-14(11-17(18)19)12-23-9-7-22-8-10-23/h1-6,11,13,22H,7-10,12H2
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2.58n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395839
PNG
(CHEMBL2165540)
Show SMILES CSc1ccc2n(c3CCC(Cc3c2c1)N(C)C)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H23ClN2O2S2/c1-23(2)15-7-9-20-18(12-15)19-13-16(27-3)8-10-21(19)24(20)28(25,26)17-6-4-5-14(22)11-17/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3
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2.68n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50402705
PNG
(CHEMBL2207368)
Show SMILES Brc1ccccc1S(=O)(=O)n1ccc2c(CN3CCNCC3)cccc12
Show InChI InChI=1S/C19H20BrN3O2S/c20-17-5-1-2-7-19(17)26(24,25)23-11-8-16-15(4-3-6-18(16)23)14-22-12-9-21-10-13-22/h1-8,11,21H,9-10,12-14H2
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2.82n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395886
PNG
(CHEMBL2165545)
Show SMILES CN(C)C1CCc2c(C1)c1ccccc1n2S(=O)(=O)c1ccccc1Br
Show InChI InChI=1S/C20H21BrN2O2S/c1-22(2)14-11-12-19-16(13-14)15-7-3-5-9-18(15)23(19)26(24,25)20-10-6-4-8-17(20)21/h3-10,14H,11-13H2,1-2H3
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2.85n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345754
PNG
(3-chloro-1-(4-fluoro benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C20H21ClFN3O2S/c1-23-8-10-24(11-9-23)13-15-2-7-20-18(12-15)19(21)14-25(20)28(26,27)17-5-3-16(22)4-6-17/h2-7,12,14H,8-11,13H2,1H3
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2.97n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345763
PNG
(1-(4-Chloro benzenesulfonyl)-5-(4-methylpiperazin-...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H22ClN3O2S/c1-22-10-12-23(13-11-22)15-16-2-7-20-17(14-16)8-9-24(20)27(25,26)19-5-3-18(21)4-6-19/h2-9,14H,10-13,15H2,1H3
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3.02n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345762
PNG
(1-(3-trifluoromethyl benzenesulfonyl)-5-(4-methylp...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C21H22F3N3O2S/c1-25-9-11-26(12-10-25)15-16-5-6-20-17(13-16)7-8-27(20)30(28,29)19-4-2-3-18(14-19)21(22,23)24/h2-8,13-14H,9-12,15H2,1H3
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3.15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345772
PNG
(1-(4-Fluoro benzenesulfonyl)-5-(4-ethylpiperazin-1...)
Show SMILES CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C21H24FN3O2S/c1-2-23-11-13-24(14-12-23)16-17-3-8-21-18(15-17)9-10-25(21)28(26,27)20-6-4-19(22)5-7-20/h3-10,15H,2,11-14,16H2,1H3
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3.21n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50402701
PNG
(CHEMBL2207388)
Show SMILES CN1CCN(Cc2cccc3n(ccc23)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-12-14-22(15-13-21)16-17-6-5-9-20-19(17)10-11-23(20)26(24,25)18-7-3-2-4-8-18/h2-11H,12-16H2,1H3
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3.24n/an/an/an/an/an/an/an/a



Suven Life Sciences Limited

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 7431-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.057
BindingDB Entry DOI: 10.7270/Q25140DD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345753
PNG
(3-Chloro-1-(2,4-difluorobenzenesulfonyl)-5-(4-meth...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2F)CC1
Show InChI InChI=1S/C20H20ClF2N3O2S/c1-24-6-8-25(9-7-24)12-14-2-4-19-16(10-14)17(21)13-26(19)29(27,28)20-5-3-15(22)11-18(20)23/h2-5,10-11,13H,6-9,12H2,1H3
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3.36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50334248
PNG
(1-(4-Isopropylbenzenesulfonyl)-3-(4-methylpiperazi...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)n1cc(N2CCN(C)CC2)c2ccccc12
Show InChI InChI=1S/C22H27N3O2S/c1-17(2)18-8-10-19(11-9-18)28(26,27)25-16-22(20-6-4-5-7-21(20)25)24-14-12-23(3)13-15-24/h4-11,16-17H,12-15H2,1-3H3
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3.40n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay


Bioorg Med Chem Lett 21: 346-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.001
BindingDB Entry DOI: 10.7270/Q2P84C5W
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395879
PNG
(CHEMBL2165552)
Show SMILES COc1ccc2n(c3CCC(Cc3c2c1)N(C)C)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C21H23FN2O3S/c1-23(2)14-8-10-19-16(12-14)17-13-15(27-3)9-11-20(17)24(19)28(25,26)21-7-5-4-6-18(21)22/h4-7,9,11,13-14H,8,10,12H2,1-3H3
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3.63n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395835
PNG
(CHEMBL2165544)
Show SMILES COc1ccc2n(c3CCC(Cc3c2c1)N(C)C)S(=O)(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N2O3S/c1-26(2)15-7-9-20-18(12-15)19-13-16(30-3)8-10-21(19)27(20)31(28,29)17-6-4-5-14(11-17)22(23,24)25/h4-6,8,10-11,13,15H,7,9,12H2,1-3H3
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3.71n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345769
PNG
(1-Benzenesulfonyl-5-(4-methylpiperazin-1-yl-methyl...)
Show SMILES CN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-21-11-13-22(14-12-21)16-17-7-8-20-18(15-17)9-10-23(20)26(24,25)19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3
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3.83n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236832
PNG
(CHEMBL4093699)
Show SMILES Cl.Cl.CC(C)c1ccc(cc1)S(=O)(=O)n1cc(CN2CCN(C)CC2)c2cc(F)ccc12
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4n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL




J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50345756
PNG
(1-(2-Chloro-5-trifluoromethyl benzenesulfonyl)-3-c...)
Show SMILES CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2cc(ccc2Cl)C(F)(F)F)CC1
Show InChI InChI=1S/C21H20Cl2F3N3O2S/c1-27-6-8-28(9-7-27)12-14-2-5-19-16(10-14)18(23)13-29(19)32(30,31)20-11-15(21(24,25)26)3-4-17(20)22/h2-5,10-11,13H,6-9,12H2,1H3
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4.16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


ACS Med Chem Lett 1: 340-344 (2010)


Article DOI: 10.1021/ml100101u
BindingDB Entry DOI: 10.7270/Q2CR5TPD
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50395841
PNG
(CHEMBL2165538)
Show SMILES CN(C)C1CCc2c(C1)c1ccccc1n2S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H21ClN2O2S/c1-22(2)15-10-11-20-18(13-15)17-8-3-4-9-19(17)23(20)26(24,25)16-7-5-6-14(21)12-16/h3-9,12,15H,10-11,13H2,1-2H3
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4.21n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 22: 6980-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.002
BindingDB Entry DOI: 10.7270/Q2QZ2C3F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50236806
PNG
(CHEMBL4100411)
Show SMILES COc1ccc2n(cc(CN3CCN(C)CC3)c2c1)S(=O)(=O)c1ccccc1
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4.30n/an/an/an/an/an/an/an/a



Suven Life Sciences Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant mammalian Geranylgeranyl transferase type I expressed in baculovirus


J Med Chem 60: 1843-1859 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01662
BindingDB Entry DOI: 10.7270/Q27S7R1X
More data for this
Ligand-Target Pair
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