Found 21 hits of Enzyme Inhibition Constant Data 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)) | BDBM50388692
(CHEMBL2059582)Show SMILES COC[C@@H]1CCCN1CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:13:14:20.19.21:16.17| Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-28-13-7-6-12-27(28)29(32-35)30(36)31-23-19-24-14-15-25(20-23)34(24)18-9-5-4-8-16-33-17-10-11-26(33)21-37-3/h6-7,12-13,22-26H,4-5,8-11,14-21H2,1-3H3,(H,31,36)/t23-,24+,25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388689
(CHEMBL2059578)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCCCC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C29H45N5O/c1-22(2)34-27-13-7-6-12-26(27)28(31-34)29(35)30-23-20-24-14-15-25(21-23)33(24)19-11-4-3-8-16-32-17-9-5-10-18-32/h6-7,12-13,22-25H,3-5,8-11,14-21H2,1-2H3,(H,30,35)/t23-,24+,25- | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388691
(CHEMBL2059580)Show SMILES CC(C)N(C)CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:10:11:17.16.18:13.14| Show InChI InChI=1S/C28H45N5O/c1-20(2)31(5)16-10-6-7-11-17-32-23-14-15-24(32)19-22(18-23)29-28(34)27-25-12-8-9-13-26(25)33(30-27)21(3)4/h8-9,12-13,20-24H,6-7,10-11,14-19H2,1-5H3,(H,29,34)/t22-,23+,24- | PDB
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388701
(CHEMBL2059584)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C31H50N6O3S/c1-23(2)37-29-11-7-6-10-28(29)30(34-37)31(38)33-25-20-26-12-13-27(21-25)36(26)17-9-5-4-8-16-35-18-14-24(15-19-35)22-32-41(3,39)40/h6-7,10-11,23-27,32H,4-5,8-9,12-22H2,1-3H3,(H,33,38)/t25-,26+,27- | PDB
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| Article
PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388700
(CHEMBL2059577)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCCCC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H39N5O2/c1-18(2)31-24-9-5-4-8-23(24)25(28-31)26(33)27-19-14-20-10-11-21(15-19)30(20)17-22(32)16-29-12-6-3-7-13-29/h4-5,8-9,18-22,32H,3,6-7,10-17H2,1-2H3,(H,27,33)/t19-,20+,21-,22? | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388693
(CHEMBL2059583)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C28H44N6O4S/c1-19(2)34-26-7-5-4-6-25(26)27(31-34)28(36)30-21-14-22-8-9-23(15-21)33(22)18-24(35)17-32-12-10-20(11-13-32)16-29-39(3,37)38/h4-7,19-24,29,35H,8-18H2,1-3H3,(H,30,36)/t21-,22+,23-,24? | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388695
(CHEMBL2059586)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C29H46N6O3S/c1-22(2)35-27-11-7-6-10-26(27)28(31-35)29(36)30-23-20-24-12-13-25(21-23)34(24)15-9-5-4-8-14-32-16-18-33(19-17-32)39(3,37)38/h6-7,10-11,22-25H,4-5,8-9,12-21H2,1-3H3,(H,30,36)/t23-,24+,25- | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388697
(CHEMBL2059588)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H40N6O4S/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-19-14-20-8-9-21(15-19)31(20)17-22(33)16-29-10-12-30(13-11-29)37(3,35)36/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19-,20+,21-,22-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50240618
((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...)Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21) | PDB
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| CHEMBL
PC cid
PC sid
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Similars
| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388699
(CHEMBL2059581)Show SMILES COC[C@@H]1CCCN1CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:11:12:18.17.19:14.15| Show InChI InChI=1S/C27H41N5O3/c1-18(2)32-25-9-5-4-8-24(25)26(29-32)27(34)28-19-13-20-10-11-21(14-19)31(20)16-23(33)15-30-12-6-7-22(30)17-35-3/h4-5,8-9,18-23,33H,6-7,10-17H2,1-3H3,(H,28,34)/t19-,20+,21-,22-,23?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388690
(CHEMBL2059579)Show SMILES CC(C)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:8:9:15.14.16:11.12| Show InChI InChI=1S/C25H39N5O2/c1-16(2)28(5)14-21(31)15-29-19-10-11-20(29)13-18(12-19)26-25(32)24-22-8-6-7-9-23(22)30(27-24)17(3)4/h6-9,16-21,31H,10-15H2,1-5H3,(H,26,32)/t18-,19+,20-,21? | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388694
(CHEMBL2059585)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H40N6O4S/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-19-14-20-8-9-21(15-19)31(20)17-22(33)16-29-10-12-30(13-11-29)37(3,35)36/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19-,20+,21-,22? | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388696
(CHEMBL2059587)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H40N6O4S/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-19-14-20-8-9-21(15-19)31(20)17-22(33)16-29-10-12-30(13-11-29)37(3,35)36/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19-,20+,21-,22-/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388698
(CHEMBL2059590)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H38N6O2/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-20-16-21-8-9-22(17-20)31(21)15-12-29-10-13-30(14-11-29)19(3)33/h4-7,18,20-22H,8-17H2,1-3H3,(H,27,34)/t20-,21+,22- | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388702
(CHEMBL2059589)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C25H38N6O3S/c1-18(2)31-23-7-5-4-6-22(23)24(27-31)25(32)26-19-16-20-8-9-21(17-19)30(20)15-12-28-10-13-29(14-11-28)35(3,33)34/h4-7,18-21H,8-17H2,1-3H3,(H,26,32)/t19-,20+,21- | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388687
(CHEMBL538635)Show SMILES CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19| Show InChI InChI=1S/C28H41N5O5S/c1-19(2)33-26-7-5-4-6-20(26)14-25(28(33)36)27(35)29-21-15-22-8-9-23(16-21)32(22)18-24(34)17-30-10-12-31(13-11-30)39(3,37)38/h4-7,14,19,21-24,34H,8-13,15-18H2,1-3H3,(H,29,35)/t21-,22+,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388688
(CHEMBL550064)Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1nn(C(C)C)c3ccccc13)N2 |r| Show InChI InChI=1S/C18H24N4O/c1-11(2)22-16-6-4-3-5-15(16)17(21-22)18(23)20-14-9-12-7-8-13(10-14)19-12/h3-6,11-14,19H,7-10H2,1-2H3,(H,20,23)/t12-,13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388686
(CHEMBL74656)Show SMILES CO[C@@H]1CN(CCCOc2ccc(F)cc2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC |r| 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)/t20-,22+/m0/s1 | PDB
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Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(GUINEA PIG) | 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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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at 5HT4 receptor in guinea pig colon assessed as longitudinal muscle plexus contraction |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(GUINEA PIG) | BDBM50388698
(CHEMBL2059590)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H38N6O2/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-20-16-21-8-9-22(17-20)31(21)15-12-29-10-13-30(14-11-29)19(3)33/h4-7,18,20-22H,8-17H2,1-3H3,(H,27,34)/t20-,21+,22- | PDB
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Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at 5HT4 receptor in guinea pig colon assessed as longitudinal muscle plexus contraction |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(GUINEA PIG) | BDBM50240618
((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...)Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21) | PDB
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Theravance, Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at 5HT4 receptor in guinea pig colon assessed as longitudinal muscle plexus contraction |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
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