Found 31 hits Enz. Inhib. hit(s) with all data for entry = 5121 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
5-hydroxytryptamine receptor 4
(RAT) | BDBM85027
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.000400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM85027
(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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.000480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM85027
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.000580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM85027
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.000630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM85020
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)Show SMILES COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCN[S](C)(=O)=O)CC1 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.000870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM85020
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)Show SMILES COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCN[S](C)(=O)=O)CC1 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.000910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM85026
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)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) | PDB
UniProtKB/SwissProt
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MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.00560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM85020
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)Show SMILES COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCN[S](C)(=O)=O)CC1 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 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.00890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM85026
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)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) | PDB
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PC sid
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| Article
PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM29525
(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 | PDB
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM85020
(5-Fluoro-2-methoxy-1H-indole-3-carboxylic acid [1-...)Show SMILES COc1[nH]c2ccc(F)cc2c1C(=O)OCC1CCN(CCN[S](C)(=O)=O)CC1 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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM29525
(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 | PDB
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PC cid
PC sid
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| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM29525
(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 | PDB
UniProtKB/SwissProt
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| Purchase
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MCE
PC cid
PC sid
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| Article
PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM29525
(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 | PDB
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PC cid
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| 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM85026
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)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) | PDB
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM85026
(N-(1-Butylpiperidine-4-ylmethyl)-1,2-(trimethylene...)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) | PDB
UniProtKB/SwissProt
GoogleScholar
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MCE
PC cid
PC sid
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| Article
PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM50007863
(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) | PDB
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| CHEMBL
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PC cid
PC sid
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| Article
PubMed
| 5.37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50007863
(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) | PDB
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PC cid
PC sid
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| 10.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50007863
(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) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM50056404
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18| 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) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 19.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM50007863
(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) | PDB
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| 22.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(RAT) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| 38.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50056404
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCC(C2)N3C)c1=O |TLB:13:14:21:17.18| 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) | PDB
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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
(Homo sapiens (Human)) | BDBM10755
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 | PDB
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| 56.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 |
3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(RAT) | BDBM82422
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21| Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21) | PDB
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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
(RAT) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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| 123 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM82087
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)Show InChI InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3 | PDB
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| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM82422
(CAS_109872-41-5 | NSC_3035240 | RENZAPRIDE)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN2CCCC1C2 |TLB:12:13:17.18.19:21| Show InChI InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21) | PDB
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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
(RAT) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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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
(Homo sapiens (Human)) | BDBM50000492
((zacopride)4-Amino-N-(1-aza-bicyclo[2.2.2]oct-3-yl...)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CN2CCC1CC2 |(27.19,-33.96,;28.52,-34.73,;28.53,-36.27,;27.2,-37.04,;27.2,-38.58,;25.86,-39.35,;28.53,-39.36,;28.53,-40.89,;29.87,-38.58,;29.86,-37.03,;31.19,-36.26,;31.19,-34.72,;32.53,-37.02,;33.86,-36.25,;35.2,-37.02,;36.52,-36.25,;36.52,-34.71,;35.19,-33.94,;33.85,-34.71,;34.61,-36.04,;35.74,-34.91,)| Show InChI InChI=1S/C15H20ClN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20) | PDB
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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
(RAT) | BDBM21392
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15) | PDB
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| 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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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