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Compile Data Set for Download or QSAR

Found 332 hits with Last Name = 'campillo' and Initial = 'm'   
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
HTR4


(RAT)
BDBM50105635
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid [1-(2...)
Show SMILES CS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C17H24ClN5O3S/c1-27(25,26)22-4-7-23-5-2-12(3-6-23)10-19-17(24)14-8-13(18)9-15-16(14)21-11-20-15/h8-9,11-12,22H,2-7,10H2,1H3,(H,19,24)(H,20,21)
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0.110n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105635
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid [1-(2...)
Show SMILES CS(=O)(=O)NCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C17H24ClN5O3S/c1-27(25,26)22-4-7-23-5-2-12(3-6-23)10-19-17(24)14-8-13(18)9-15-16(14)21-11-20-15/h8-9,11-12,22H,2-7,10H2,1H3,(H,19,24)(H,20,21)
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0.110n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001832
PNG
(CHEMBL365569)
Show SMILES O=S(=O)(c1cc2c(cccc2[nH]1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C18H19N3O2S/c22-24(23,14-5-2-1-3-6-14)18-13-15-16(20-18)7-4-8-17(15)21-11-9-19-10-12-21/h1-8,13,19-20H,9-12H2
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0.130n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001827
PNG
(CHEMBL363792)
Show SMILES CON1CCN(CC1)c1ccc(cc1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H22N2O3S/c1-26-23-15-13-22(14-16-23)18-9-11-19(12-10-18)27(24,25)21-8-4-6-17-5-2-3-7-20(17)21/h2-12H,13-16H2,1H3
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0.130n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001826
PNG
(CHEMBL372879)
Show SMILES NCCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12
Show InChI InChI=1S/C20H18ClN3O2S/c21-19-3-1-2-13-10-16(5-6-17(13)19)27(25,26)24-15-4-7-20-18(11-15)14(8-9-22)12-23-20/h1-7,10-12,23-24H,8-9,22H2
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0.200n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001843
PNG
(CHEMBL373322)
Show SMILES O=S(=O)(c1ccc2ccccc2c1)n1ccc2ccc(cc12)N1CCN2C=CCC2C1 |c:30|
Show InChI InChI=1S/C25H23N3O2S/c29-31(30,24-10-8-19-4-1-2-5-21(19)16-24)28-13-11-20-7-9-22(17-25(20)28)27-15-14-26-12-3-6-23(26)18-27/h1-5,7-13,16-17,23H,6,14-15,18H2
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0.200n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105650
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-is...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-12(2)10-23-5-3-13(4-6-23)9-20-18(24)15-7-14(19)8-16-17(15)22-11-21-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,22)
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0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105650
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-is...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-12(2)10-23-5-3-13(4-6-23)9-20-18(24)15-7-14(19)8-16-17(15)22-11-21-16/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,20,24)(H,21,22)
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0.290n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087809
PNG
(CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...)
Show SMILES CN(CC#C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3
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0.300n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50403827
PNG
(CHEMBL414628)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105649
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-bu...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.320n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105649
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-bu...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25ClN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.320n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50403827
PNG
(CHEMBL414628)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)N1CCc2ccc(I)cc12
Show InChI InChI=1S/C19H22IN3O3S/c1-26-19-5-4-16(13-18(19)22-10-7-21-8-11-22)27(24,25)23-9-6-14-2-3-15(20)12-17(14)23/h2-5,12-13,21H,6-11H2,1H3
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0.320n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164462
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-hex...)
Show SMILES O=C1CN(CCCCN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C25H32N4O2/c30-24-19-28(25(31)23-11-6-14-29(23)24)13-4-3-12-26-15-17-27(18-16-26)22-10-5-8-20-7-1-2-9-21(20)22/h1-2,5,7-10,23H,3-4,6,11-19H2
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0.5n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105640
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-pe...)
Show SMILES CCCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-2-3-4-7-24-8-5-14(6-9-24)12-21-19(25)16-10-15(20)11-17-18(16)23-13-22-17/h10-11,13-14H,2-9,12H2,1H3,(H,21,25)(H,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105640
PNG
(6-Chloro-1H-benzoimidazole-4-carboxylic acid (1-pe...)
Show SMILES CCCCCN1CCC(CNC(=O)c2cc(Cl)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-2-3-4-7-24-8-5-14(6-9-24)12-21-19(25)16-10-15(20)11-17-18(16)23-13-22-17/h10-11,13-14H,2-9,12H2,1H3,(H,21,25)(H,22,23)
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0.540n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105653
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-but...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Br)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25BrN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.640n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105653
PNG
(6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-but...)
Show SMILES CCCCN1CCC(CNC(=O)c2cc(Br)cc3nc[nH]c23)CC1
Show InChI InChI=1S/C18H25BrN4O/c1-2-3-6-23-7-4-13(5-8-23)11-20-18(24)15-9-14(19)10-16-17(15)22-12-21-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,24)(H,21,22)
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0.640n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50087800
PNG
((5-Benzyloxy-1H-indol-2-ylmethyl)-prop-2-ynyl-amin...)
Show SMILES C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1
Show InChI InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
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0.75n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001829
PNG
(CHEMBL433946)
Show SMILES COc1ccc2n(cc(CCN)c2c1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H20N2O3S/c1-26-17-9-10-20-19(13-17)16(11-12-22)14-23(20)27(24,25)21-8-4-6-15-5-2-3-7-18(15)21/h2-10,13-14H,11-12,22H2,1H3
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0.790n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001828
PNG
(CHEMBL427155)
Show SMILES COc1ccc(NS(=O)(=O)c2cccc(I)c2)cc1N1CCNCC1
Show InChI InChI=1S/C17H20IN3O3S/c1-24-17-6-5-14(12-16(17)21-9-7-19-8-10-21)20-25(22,23)15-4-2-3-13(18)11-15/h2-6,11-12,19-20H,7-10H2,1H3
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0.790n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001824
PNG
(CHEMBL282971)
Show SMILES [H][C@]12CCCN1CCN(C2)c1cc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)ccc1OC
Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m1/s1
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0.790n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50130270
PNG
(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic aci...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN2CCC[C@H]2C1
Show InChI InChI=1S/C23H26ClN3O3S2/c1-15-19-12-16(24)5-8-22(19)31-23(15)32(28,29)25-17-6-7-21(30-2)20(13-17)27-11-10-26-9-3-4-18(26)14-27/h5-8,12-13,18,25H,3-4,9-11,14H2,1-2H3/t18-/m0/s1
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0.790n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090527
PNG
(1-(Naphthalene-1-sulfonyl)-6-(octahydro-indolizin-...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)C1CCN2CCCC2C1
Show InChI InChI=1S/C26H26N2O2S/c29-31(30,26-9-3-6-19-5-1-2-8-24(19)26)28-16-13-20-10-11-21(18-25(20)28)22-12-15-27-14-4-7-23(27)17-22/h1-3,5-6,8-11,13,16,18,22-23H,4,7,12,14-15,17H2
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0.790n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087796
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-prop-2-yn...)
Show SMILES COc1ccc2n(C)c(CNCC#C)cc2c1
Show InChI InChI=1S/C14H16N2O/c1-4-7-15-10-12-8-11-9-13(17-3)5-6-14(11)16(12)2/h1,5-6,8-9,15H,7,10H2,2-3H3
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0.800n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001835
PNG
(CHEMBL372006 | LY-485731)
Show SMILES Fc1cccc(F)c1S(=O)(=O)Oc1ccc2[nH]cc(C3CCNCC3)c2c1
Show InChI InChI=1S/C19H18F2N2O3S/c20-16-2-1-3-17(21)19(16)27(24,25)26-13-4-5-18-14(10-13)15(11-23-18)12-6-8-22-9-7-12/h1-5,10-12,22-23H,6-9H2
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1n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM28583
PNG
(5-chloro-N-[4-methoxy-3-(piperazin-1-yl)phenyl]-3-...)
Show SMILES COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCNCC1
Show InChI InChI=1S/C20H22ClN3O3S2/c1-13-16-11-14(21)3-6-19(16)28-20(13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3
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1n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50080166
PNG
(2-{4-[4-(1H-Benzoimidazol-4-yl)-piperazin-1-yl]-bu...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1S/C21H28N6O2/c28-20-18-7-4-10-26(18)21(29)27(20)9-2-1-8-24-11-13-25(14-12-24)17-6-3-5-16-19(17)23-15-22-16/h3,5-6,15,28H,1-2,4,7-14H2,(H,22,23)
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1.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001830
PNG
(CHEMBL188600)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1[nH]c2ccccc2c1CCN
Show InChI InChI=1S/C19H18N4O2/c1-24-13-6-4-5-12(11-13)18-22-19(25-23-18)17-15(9-10-20)14-7-2-3-8-16(14)21-17/h2-8,11,21H,9-10,20H2,1H3
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1.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50090530
PNG
(6-(1,2,3,5,8,8a-Hexahydro-indolizin-7-yl)-1-(napht...)
Show SMILES O=S(=O)(c1cccc2ccccc12)n1ccc2ccc(cc12)C1=CCN2CCCC2C1 |t:26|
Show InChI InChI=1S/C26H24N2O2S/c29-31(30,26-9-3-6-19-5-1-2-8-24(19)26)28-16-13-20-10-11-21(18-25(20)28)22-12-15-27-14-4-7-23(27)17-22/h1-3,5-6,8-13,16,18,23H,4,7,14-15,17H2
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1.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087791
PNG
(But-2-ynyl-(5-methoxy-1-methyl-1H-indol-2-ylmethyl...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#CC)cc2c1
Show InChI InChI=1S/C16H20N2O/c1-5-6-9-17(2)12-14-10-13-11-15(19-4)7-8-16(13)18(14)3/h7-8,10-11H,9,12H2,1-4H3
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1.40n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087801
PNG
((5-Methoxy-1-methyl-1H-indol-2-ylmethyl)-methyl-pr...)
Show SMILES COc1ccc2n(C)c(CN(C)CC#C)cc2c1
Show InChI InChI=1S/C15H18N2O/c1-5-8-16(2)11-13-9-12-10-14(18-4)6-7-15(12)17(13)3/h1,6-7,9-10H,8,11H2,2-4H3
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1.5n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50163052
PNG
(6-Chloro-imidazo[2,1-b]thiazole-5-sulfonic acid [1...)
Show SMILES CN(C)CCn1ccc2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc12
Show InChI InChI=1S/C17H18ClN5O2S2/c1-21(2)7-8-22-6-5-12-11-13(3-4-14(12)22)20-27(24,25)16-15(18)19-17-23(16)9-10-26-17/h3-6,9-11,20H,7-8H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001825
PNG
(CHEMBL97158 | SB-331711)
Show SMILES Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)Nc1ccc2nccc(N3CCNCC3)c2c1
Show InChI InChI=1S/C22H21ClN4O2S2/c1-14-17-12-15(23)2-5-21(17)30-22(14)31(28,29)26-16-3-4-19-18(13-16)20(6-7-25-19)27-10-8-24-9-11-27/h2-7,12-13,24,26H,8-11H2,1H3
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2n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105648
PNG
(6-Chloro-1-methyl-1H-benzoimidazole-4-carboxylic a...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3n(C)cnc23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-13(2)11-24-6-4-14(5-7-24)10-21-19(25)16-8-15(20)9-17-18(16)22-12-23(17)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,25)
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2.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105648
PNG
(6-Chloro-1-methyl-1H-benzoimidazole-4-carboxylic a...)
Show SMILES CC(C)CN1CCC(CNC(=O)c2cc(Cl)cc3n(C)cnc23)CC1
Show InChI InChI=1S/C19H27ClN4O/c1-13(2)11-24-6-4-14(5-7-24)10-21-19(25)16-8-15(20)9-17-18(16)22-12-23(17)3/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,21,25)
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2.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105647
PNG
(3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CS(=O)(=O)NCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
Show InChI InChI=1S/C17H23ClN4O4S/c1-27(24,25)21-4-7-22-5-2-12(3-6-22)10-26-17(23)14-8-13(18)9-15-16(14)20-11-19-15/h8-9,11-12,21H,2-7,10H2,1H3,(H,19,20)
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2.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105647
PNG
(3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CS(=O)(=O)NCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
Show InChI InChI=1S/C17H23ClN4O4S/c1-27(24,25)21-4-7-22-5-2-12(3-6-22)10-26-17(23)14-8-13(18)9-15-16(14)20-11-19-15/h8-9,11-12,21H,2-7,10H2,1H3,(H,19,20)
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2.30n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50126474
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-tet...)
Show SMILES Oc1c2CCCn2c(=O)n1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,29H,3-4,6,11-18H2
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2.40n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50164454
PNG
((S)-2-((S)-2-Methyl-4-naphthalen-1-yl-piperazin-1-...)
Show SMILES C[C@H]1CN(CCN1CN1CC(=O)N2CCC[C@H]2C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O2/c1-17-14-24(20-9-4-7-18-6-2-3-8-19(18)20)12-13-25(17)16-26-15-22(28)27-11-5-10-21(27)23(26)29/h2-4,6-9,17,21H,5,10-16H2,1H3/t17-,21-/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes


J Med Chem 48: 2548-58 (2005)


Article DOI: 10.1021/jm048999e
BindingDB Entry DOI: 10.7270/Q2086621
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
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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2.5n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
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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2.5n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105642
PNG
(3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
Show InChI InChI=1S/C18H24ClN3O2/c1-2-3-6-22-7-4-13(5-8-22)11-24-18(23)15-9-14(19)10-16-17(15)21-12-20-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,21)
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2.90n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity to 5-hydroxytryptamine 4 receptor using [3H]-GR-113,808 as radioligand in rat striatum membrane


J Med Chem 45: 4806-15 (2002)


BindingDB Entry DOI: 10.7270/Q2BZ65D3
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50105642
PNG
(3-Amino-6-chloro-1H-benzoimidazole-4-carboxylic ac...)
Show SMILES CCCCN1CCC(COC(=O)c2cc(Cl)cc3[nH]cnc23)CC1
Show InChI InChI=1S/C18H24ClN3O2/c1-2-3-6-22-7-4-13(5-8-22)11-24-18(23)15-9-14(19)10-16-17(15)21-12-20-16/h9-10,12-13H,2-8,11H2,1H3,(H,20,21)
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2.90n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
In vitro binding affinity to 5-hydroxytryptamine 4 receptor in rat striatum membrane


Bioorg Med Chem Lett 11: 2807-11 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q29G5M3X
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50087809
PNG
(CHEMBL298006 | Methyl-(1-methyl-1H-indol-2-ylmethy...)
Show SMILES CN(CC#C)Cc1cc2ccccc2n1C
Show InChI InChI=1S/C14H16N2/c1-4-9-15(2)11-13-10-12-7-5-6-8-14(12)16(13)3/h1,5-8,10H,9,11H2,2-3H3
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3n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50106250
PNG
(CHEMBL93868 | N,N-dimethyl-2-(1-(phenylsulfonyl)-1...)
Show SMILES CN(C)CCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20N2O2S/c1-19(2)13-12-15-14-20(18-11-7-6-10-17(15)18)23(21,22)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
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3.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50001821
PNG
(CHEMBL364039)
Show SMILES NCc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C15H14N2O2S/c16-10-12-11-17(15-9-5-4-8-14(12)15)20(18,19)13-6-2-1-3-7-13/h1-9,11H,10,16H2
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3.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50130268
PNG
(CHEMBL329383 | N-(2,5-Dibromo-3-fluoro-phenyl)-4-m...)
Show SMILES COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Br)cc(F)c1Br
Show InChI InChI=1S/C17H18Br2FN3O3S/c1-26-16-3-2-12(10-15(16)23-6-4-21-5-7-23)27(24,25)22-14-9-11(18)8-13(20)17(14)19/h2-3,8-10,21-22H,4-7H2,1H3
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3.20n/an/an/an/an/an/an/an/a



Universidad Complutense

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 6 receptor


J Med Chem 48: 4216-9 (2005)

Checked by Author
Article DOI: 10.1021/jm050247c
BindingDB Entry DOI: 10.7270/Q2736SD0
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50087803
PNG
(1-Methyl-2-[(methyl-prop-2-ynyl-amino)-methyl]-1H-...)
Show SMILES CN(CC#C)Cc1cc2cc(O)ccc2n1C
Show InChI InChI=1S/C14H16N2O/c1-4-7-15(2)10-12-8-11-9-13(17)5-6-14(11)16(12)3/h1,5-6,8-9,17H,7,10H2,2-3H3
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4n/an/an/an/an/an/an/an/a



Universitat Autònoma de Barcelona

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase A


J Med Chem 43: 1684-91 (2000)


BindingDB Entry DOI: 10.7270/Q2C53K38
More data for this
Ligand-Target Pair
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