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Compile Data Set for Download or QSAR

Found 160 hits with Last Name = 'claeysen' and Initial = 's'   
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)
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
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0.000400n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
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0.000480n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
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0.000580n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85027
PNG
(1-(7-Chloro-8-amino-1,4-benzodioxane-5-yl)-3-[1-[3...)
Show SMILES COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC
Show InChI InChI=1S/C27H35ClN2O5/c1-32-23-8-6-19(16-24(23)33-2)4-3-11-30-12-9-18(10-13-30)5-7-22(31)20-17-21(28)25(29)27-26(20)34-14-15-35-27/h6,8,16-18H,3-5,7,9-15,29H2,1-2H3
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0.000630n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85020
PNG
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)
Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
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0.000870n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM85020
PNG
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)
Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
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0.000910n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM85026
PNG
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)
Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
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0.00560n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM85020
PNG
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)
Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
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0.00890n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85026
PNG
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)
Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
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0.0100n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.0200n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.0200n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85020
PNG
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)
Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
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0.0200n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM85020
PNG
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)
Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
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0.0200n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM85020
PNG
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)
Show InChI InChI=1S/C19H26FN3O5S/c1-27-18-17(15-11-14(20)3-4-16(15)22-18)19(24)28-12-13-5-8-23(9-6-13)10-7-21-29(2,25)26/h3-4,11,13,21-22H,5-10,12H2,1-2H3
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0.0300n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.0300n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.0900n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM85026
PNG
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)
Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
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0.300n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.310n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM85026
PNG
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)
Show SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1
Show InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(26)20-18-7-4-5-8-19(18)25-12-6-15-27-22(20)25/h4-5,7-8,17H,2-3,6,9-16H2,1H3,(H,23,26)
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0.470n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
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
HTR4


(GUINEA PIG)
BDBM50079375
PNG
(CHEMBL3417008 | US9663465, 20)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C21H31ClN2O3/c1-26-20-12-19(23)18(22)11-17(20)21(25)27-14-16-7-9-24(10-8-16)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13-14,23H2,1H3
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0.950n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM85019
PNG
(4-Amino-5-chloro-N-(1-{4-[4-(dimethylamino)-1-pipe...)
Show SMILES COC1CN(CCCC(=O)N2CCC(CC2)N(C)C)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C25H40ClN5O4/c1-29(2)17-7-12-31(13-8-17)24(32)6-5-10-30-11-9-21(23(16-30)35-4)28-25(33)18-14-19(26)20(27)15-22(18)34-3/h14-15,17,21,23H,5-13,16,27H2,1-4H3,(H,28,33)
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1.38n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50079377
PNG
(CHEMBL3417007)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C21H32ClN3O2/c1-27-20-12-19(23)18(22)11-17(20)21(26)24-13-15-7-9-25(10-8-15)14-16-5-3-2-4-6-16/h11-12,15-16H,2-10,13-14,23H2,1H3,(H,24,26)
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2.30n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50079367
PNG
(CHEMBL3416998)
Show SMILES Cl.COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCNCC2)CC1
Show InChI InChI=1S/C21H32ClN3O2/c1-27-21-13-19(23)18(22)12-17(21)20(26)3-2-15-6-10-25(11-7-15)14-16-4-8-24-9-5-16/h12-13,15-16,24H,2-11,14,23H2,1H3
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2.5n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM85019
PNG
(4-Amino-5-chloro-N-(1-{4-[4-(dimethylamino)-1-pipe...)
Show SMILES COC1CN(CCCC(=O)N2CCC(CC2)N(C)C)CCC1NC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C25H40ClN5O4/c1-29(2)17-7-12-31(13-8-17)24(32)6-5-10-30-11-9-21(23(16-30)35-4)28-25(33)18-14-19(26)20(27)15-22(18)34-3/h14-15,17,21,23H,5-13,16,27H2,1-4H3,(H,28,33)
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2.88n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50079365
PNG
(CHEMBL3416996 | US9663465, 8)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCC2)CC1
Show InChI InChI=1S/C21H31ClN2O2/c1-26-21-13-19(23)18(22)12-17(21)20(25)7-6-15-8-10-24(11-9-15)14-16-4-2-3-5-16/h12-13,15-16H,2-11,14,23H2,1H3
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3n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50079366
PNG
(CHEMBL3416997 | US9663465, 12)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCCC2)CC1
Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-15-21(25)20(24)14-19(23)22(27)9-8-17-10-12-26(13-11-17)16-18-6-4-2-3-5-7-18/h14-15,17-18H,2-13,16,25H2,1H3
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3.90n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50079369
PNG
(CHEMBL3417000 | US9663465, 11)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2C)CC1
Show InChI InChI=1/C23H35ClN2O2/c1-16-5-3-4-6-18(16)15-26-11-9-17(10-12-26)7-8-22(27)19-13-20(24)21(25)14-23(19)28-2/h13-14,16-18H,3-12,15,25H2,1-2H3
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4.90n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
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
HTR4


(RAT)
BDBM50007863
PNG
(6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...)
Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17|
Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)
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5.37n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM50056401
PNG
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)
Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
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6.30n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50079362
PNG
(CHEMBL3417009 | US9663465, 9)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C22H33ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h13-14,16-17H,2-12,15,24H2,1H3
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6.60n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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7.41n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM50056401
PNG
(2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]be...)
Show SMILES CCN(CC)CCOC(=O)c1cc(Cl)c(N)cc1OC
Show InChI InChI=1S/C14H21ClN2O3/c1-4-17(5-2)6-7-20-14(18)10-8-11(15)12(16)9-13(10)19-3/h8-9H,4-7,16H2,1-3H3
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7.76n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM50005833
PNG
((exo)4-Amino-5-chloro-N-(hexahydro-pyrrolizin-1-yl...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CCN2CCC[C@@H]12
Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-9-10-4-6-20-5-2-3-14(10)20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14-/m0/s1
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7.94n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


Article DOI: 10.1016/s0014-5793(96)01132-5
BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50079368
PNG
(CHEMBL3416999 | US9663465, 16)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCC2CCCCC2)CC1
Show InChI InChI=1S/C23H35ClN2O2/c1-28-23-16-21(25)20(24)15-19(23)22(27)8-7-18-10-13-26(14-11-18)12-9-17-5-3-2-4-6-17/h15-18H,2-14,25H2,1H3
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8.20n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50079364
PNG
(CHEMBL3416995 | US9663465, 7)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCC2)CC1
Show InChI InChI=1S/C20H29ClN2O2/c1-25-20-12-18(22)17(21)11-16(20)19(24)6-5-14-7-9-23(10-8-14)13-15-3-2-4-15/h11-12,14-15H,2-10,13,22H2,1H3
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8.80n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM84950
PNG
(CAS_183782 | NSC_183782 | RS 67333)
Show SMILES CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1
Show InChI InChI=1S/C19H29ClN2O2/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2/h12-14H,3-11,21H2,1-2H3
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9.30n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50007863
PNG
(6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...)
Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17|
Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)
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10.5n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
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
HTR4


(GUINEA PIG)
BDBM50079370
PNG
(CHEMBL3417001)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H27ClN2O2/c1-27-22-14-20(24)19(23)13-18(22)21(26)8-7-16-9-11-25(12-10-16)15-17-5-3-2-4-6-17/h2-6,13-14,16H,7-12,15,24H2,1H3
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14n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
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
HTR4


(GUINEA PIG)
BDBM50079363
PNG
(CHEMBL3414597 | US9663465, 6)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C19H27ClN2O2/c1-24-19-11-17(21)16(20)10-15(19)18(23)5-4-13-6-8-22(9-7-13)12-14-2-3-14/h10-11,13-14H,2-9,12,21H2,1H3
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15n/an/an/an/an/an/an/an/a



CERMN

Curated by ChEMBL


Assay Description
Displacement of [3H]GR113808 from 5-HT4R in guinea pig brain membranes incubated for 30 mins by radioligand binding assay


J Med Chem 58: 3172-87 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00115
BindingDB Entry DOI: 10.7270/Q2HQ41MH
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))
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
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
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
BDBM50007863
PNG
(6-Methoxy-2-oxo-2,3-dihydro-benzoimidazole-1-carbo...)
Show SMILES COc1ccc2[nH]c(=O)n(C(=O)OC3CC4CCC(C3)N4C)c2c1 |TLB:12:13:20:16.17|
Show InChI InChI=1S/C17H21N3O4/c1-19-10-3-4-11(19)8-13(7-10)24-17(22)20-15-9-12(23-2)5-6-14(15)18-16(20)21/h5-6,9-11,13H,3-4,7-8H2,1-2H3,(H,18,21)
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18.6n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


Article DOI: 10.1097/00001756-199710200-00002
BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
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