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Compile Data Set for Download or QSAR

Found 112 hits from CNRS UPR 9023   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)


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)


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)


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)


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)


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)


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)


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)


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)


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)


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)


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)


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)


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




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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)


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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0.0300n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


BindingDB Entry DOI: 10.7270/Q228065Q
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)


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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0.150n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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)


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)


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




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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)


BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
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




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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)


BindingDB Entry DOI: 10.7270/Q2TD9VWM
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




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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)


BindingDB Entry DOI: 10.7270/Q228065Q
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)


BindingDB Entry DOI: 10.7270/Q228065Q
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
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)


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)


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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6.30n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4)


(Homo sapiens (Human))
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




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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)


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)


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)


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




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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
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)


BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM84648
PNG
(BIMU 8)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+
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12.6n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50007872
PNG
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)
Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)
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15.8n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
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
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)


BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(RAT)
BDBM50056404
PNG
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)
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19.1n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


BindingDB Entry DOI: 10.7270/Q2TD9VWM
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
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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22.4n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Neuroreport 8: 3189-96 (1997)


BindingDB Entry DOI: 10.7270/Q2TD9VWM
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM84648
PNG
(BIMU 8)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+
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25.1n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM84648
PNG
(BIMU 8)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+
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25.1n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM84648
PNG
(BIMU 8)
Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2C[C@@H]3CC[C@H](C2)N3C)c1=O
Show InChI InChI=1S/C19H26N4O2/c1-12(2)22-16-6-4-5-7-17(16)23(19(22)25)18(24)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,12-15H,8-11H2,1-3H3,(H,20,24)/t13?,14-,15+
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25.1n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
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
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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26.9n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
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
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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26.9n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
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
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)
UniProtKB/SwissProt

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26.9n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




Eur J Pharmacol 298: 165-74 (1996)


BindingDB Entry DOI: 10.7270/Q2GF0S1D
More data for this
Ligand-Target Pair
HTR4


(MOUSE)
BDBM50007872
PNG
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)
Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O
Show InChI InChI=1S/C18H24N4O2/c1-3-21-15-6-4-5-7-16(15)22(18(21)24)17(23)19-12-10-13-8-9-14(11-12)20(13)2/h4-7,12-14H,3,8-11H2,1-2H3,(H,19,23)
UniProtKB/SwissProt

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PC cid
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UniChem

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PubMed
28.8n/an/an/an/an/an/an/an/a



CNRS UPR 9023

Curated by PDSP Ki Database




FEBS Lett 398: 19-25 (1996)


BindingDB Entry DOI: 10.7270/Q228065Q
More data for this
Ligand-Target Pair
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