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Compile Data Set for Download or QSAR

Found 234 hits with Last Name = 'dumuis' and Initial = 'a'   
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
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


(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
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




Eur J Pharmacol 298: 165-74 (1996)


Article DOI: 10.1016/0014-2999(95)00786-5
BindingDB Entry DOI: 10.7270/Q2GF0S1D
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
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)


Article DOI: 10.1016/0014-2999(95)00786-5
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)


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


(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)


Article DOI: 10.1016/0014-2999(95)00786-5
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)


Article DOI: 10.1016/0014-2999(95)00786-5
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)


Article DOI: 10.1016/0014-2999(95)00786-5
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)


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))
BDBM86038
PNG
(SL65.0155 | SL650155)
Show SMILES Nc1c(Cl)cc(-c2nn(C3CCN(CCc4ccccc4)CC3)c(=O)o2)c2OCCOc12
Show InChI InChI=1S/C23H25ClN4O4/c24-18-14-17(20-21(19(18)25)31-13-12-30-20)22-26-28(23(29)32-22)16-7-10-27(11-8-16)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13,25H2
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0.600n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 731-41 (2002)


Article DOI: 10.1124/jpet.102.034249
BindingDB Entry DOI: 10.7270/Q2X065NV
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


(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)


Article DOI: 10.1016/0014-2999(95)00786-5
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)


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)
BDBM50293279
PNG
(1-Methyl-5-[(1-propylpiperidin-4-yl)methyloxy]-pyr...)
Show SMILES CCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3
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1.74n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50007871
PNG
(CHEMBL8197 | ICS 205-930 | TROPISETRON)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |THB:9:7:1:3.4|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3
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2.80n/an/an/an/an/an/an/an/a



INSERM

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 345: 264-9 (1992)


Article DOI: 10.1007/bf00168685
BindingDB Entry DOI: 10.7270/Q2P55KZ1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50108392
PNG
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
PDB

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2.80n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Binding affinity at 5HT3 receptor


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)
BDBM50122716
PNG
(5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahy...)
Show SMILES CCCN1CCC(COc2nc3ccccc3c3NCCCc23)CC1
Show InChI InChI=1S/C21H29N3O/c1-2-12-24-13-9-16(10-14-24)15-25-21-18-7-5-11-22-20(18)17-6-3-4-8-19(17)23-21/h3-4,6,8,16,22H,2,5,7,9-15H2,1H3
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2.90n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptor


J Med Chem 46: 138-47 (2002)


Article DOI: 10.1021/jm020954v
BindingDB Entry DOI: 10.7270/Q2J67G8P
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


(GUINEA PIG)
BDBM50413548
PNG
(CHEMBL512679)
Show SMILES CCCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C20H27N3OS/c1-3-4-9-22-11-7-16(8-12-22)13-24-19-17-6-5-10-23(17)18-15(2)14-25-20(18)21-19/h5-6,10,14,16H,3-4,7-9,11-13H2,1-2H3
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5.37n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
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


(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)


Article DOI: 10.1016/0014-2999(95)00786-5
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)


Article DOI: 10.1016/0014-2999(95)00786-5
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)


Article DOI: 10.1016/0014-2999(95)00786-5
BindingDB Entry DOI: 10.7270/Q2GF0S1D
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50413547
PNG
(CHEMBL448702)
Show SMILES CC(C)N1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C19H25N3OS/c1-13(2)21-9-6-15(7-10-21)11-23-18-16-5-4-8-22(16)17-14(3)12-24-19(17)20-18/h4-5,8,12-13,15H,6-7,9-11H2,1-3H3
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6.46n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
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
UniProtKB/SwissProt

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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


(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)


Article DOI: 10.1016/0014-2999(95)00786-5
BindingDB Entry DOI: 10.7270/Q2GF0S1D
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50413546
PNG
(CHEMBL513254)
Show SMILES Cc1csc2nc(OCC3CCN(CC=C)CC3)c3cccn3c12
Show InChI InChI=1S/C19H23N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h3-5,9,13,15H,1,6-8,10-12H2,2H3
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8.51n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50413545
PNG
(CHEMBL469575)
Show SMILES C=CCN1CCC(COc2nc3ccsc3n3cccc23)CC1
Show InChI InChI=1S/C18H21N3OS/c1-2-8-20-10-5-14(6-11-20)13-22-17-16-4-3-9-21(16)18-15(19-17)7-12-23-18/h2-4,7,9,12,14H,1,5-6,8,10-11,13H2
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8.71n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
HTR4


(GUINEA PIG)
BDBM50413544
PNG
(CHEMBL511794)
Show SMILES CCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1
Show InChI InChI=1S/C18H23N3OS/c1-3-20-9-6-14(7-10-20)11-22-17-15-5-4-8-21(15)16-13(2)12-23-18(16)19-17/h4-5,8,12,14H,3,6-7,9-11H2,1-2H3
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9.55n/an/an/an/an/an/an/an/a



Université de Caen

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane


Bioorg Med Chem 17: 2607-22 (2009)


Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG
More data for this
Ligand-Target Pair
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