Found 23 hits Enz. Inhib. hit(s) with all data for entry = 5248 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
(Homo sapiens (Human)) | BDBM82505
(CAS_121881 | NSC_121881 | SB204070)Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3 | PDB
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| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM82505
(CAS_121881 | NSC_121881 | SB204070)Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3 | PDB
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM82505
(CAS_121881 | NSC_121881 | SB204070)Show InChI InChI=1S/C19H27ClN2O4/c1-2-3-6-22-7-4-13(5-8-22)12-26-19(23)14-11-15(20)16(21)18-17(14)24-9-10-25-18/h11,13H,2-10,12,21H2,1H3 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
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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| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
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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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
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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| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM85607
(CAS_189188-57-6 | SDZ-HTF-919 | SDZ-HTF919)Show SMILES COc1ccc2[nH]cc(C=NN=C(N)NCCCCO)c2c1 |w:9.8,11.10| Show InChI InChI=1S/C15H21N5O2/c1-22-12-4-5-14-13(8-12)11(9-18-14)10-19-20-15(16)17-6-2-3-7-21/h4-5,8-10,18,21H,2-3,6-7H2,1H3,(H3,16,17,20)/b19-10+ | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM85607
(CAS_189188-57-6 | SDZ-HTF-919 | SDZ-HTF919)Show SMILES COc1ccc2[nH]cc(C=NN=C(N)NCCCCO)c2c1 |w:9.8,11.10| Show InChI InChI=1S/C15H21N5O2/c1-22-12-4-5-14-13(8-12)11(9-18-14)10-19-20-15(16)17-6-2-3-7-21/h4-5,8-10,18,21H,2-3,6-7H2,1H3,(H3,16,17,20)/b19-10+ | PDB
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| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM85607
(CAS_189188-57-6 | SDZ-HTF-919 | SDZ-HTF919)Show SMILES COc1ccc2[nH]cc(C=NN=C(N)NCCCCO)c2c1 |w:9.8,11.10| Show InChI InChI=1S/C15H21N5O2/c1-22-12-4-5-14-13(8-12)11(9-18-14)10-19-20-15(16)17-6-2-3-7-21/h4-5,8-10,18,21H,2-3,6-7H2,1H3,(H3,16,17,20)/b19-10+ | PDB
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| PC cid
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| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50122872
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23) | PDB
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| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50122872
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23) | PDB
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| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50005836
(4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl...)Show SMILES COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC Show InChI InChI=1S/C23H29ClFN3O4/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29) | PDB
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Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50122872
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)Show InChI InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23) | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM94630
(4-Amino-5-chloro-2-ethoxy-N-[4-(4-fluoro-benzyl)-m...)Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1 Show InChI InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27) | PDB
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Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM94630
(4-Amino-5-chloro-2-ethoxy-N-[4-(4-fluoro-benzyl)-m...)Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1 Show InChI InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27) | PDB
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Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
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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Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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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Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM94630
(4-Amino-5-chloro-2-ethoxy-N-[4-(4-fluoro-benzyl)-m...)Show SMILES CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1 Show InChI InChI=1S/C21H25ClFN3O3/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27) | PDB
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Curated by PDSP Ki Database
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J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
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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| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by PDSP Ki Database
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J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
J Neurochem 74: 478-89 (2000)
Article DOI: 10.1046/j.1471-4159.2000.740478.x
BindingDB Entry DOI: 10.7270/Q2DJ5D5Z |
More data for this
Ligand-Target Pair | |
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