Found 18 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)) | BDBM50079288
(3-Cyclopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-c...)Show SMILES CC(C)N1CCN(CCNC(=O)n2c3ccccc3n(C3CC3)c2=O)CC1 Show InChI InChI=1S/C20H29N5O2/c1-15(2)23-13-11-22(12-14-23)10-9-21-19(26)25-18-6-4-3-5-17(18)24(20(25)27)16-7-8-16/h3-6,15-16H,7-14H2,1-2H3,(H,21,26) | PDB
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| CHEMBL
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PC sid
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| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for 5-hydroxytryptamine 4 receptor antagonist activity |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
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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| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for agonist activity against 5-hydroxytryptamine 4 receptor |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B/3C/3D/3E
(Homo sapiens (Human)) | BDBM50122876
(4-Amino-5-chloro-2-methoxy-N-(1-methylamino-cyclop...)Show InChI InChI=1S/C15H22ClN3O2/c1-18-15(5-3-4-6-15)9-19-14(20)10-7-11(16)12(17)8-13(10)21-2/h7-8,18H,3-6,9,17H2,1-2H3,(H,19,20) | PDB
MMDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for 5-hydroxytryptamine 3 receptor anatagonist activity |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50122871
(7-Amino-6-chloro-10,13-dioxa-2,16-diaza-tricyclo[1...)Show SMILES Nc1cc2OCCOCCN3CCC(CC3)NC(=O)c2cc1Cl |(-1.23,-5.96,;.1,-5.19,;1.43,-5.96,;2.77,-5.19,;4.1,-5.96,;4.1,-7.49,;5.33,-8.36,;7.24,-7.78,;8.8,-8.71,;10.27,-7.82,;10.27,-5.68,;9.34,-4.92,;8.29,-2.86,;6.75,-2.86,;7.89,-3.75,;8.59,-5.56,;5.43,-3.63,;4.08,-2.87,;4.08,-1.33,;2.77,-3.64,;1.43,-2.87,;.1,-3.65,;-1.23,-2.88,)| Show InChI InChI=1S/C16H22ClN3O3/c17-13-9-12-15(10-14(13)18)23-8-7-22-6-5-20-3-1-11(2-4-20)19-16(12)21/h9-11H,1-8,18H2,(H,19,21) | PDB
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| 29.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for potency against 5-hydroxytryptamine 4 receptor agonist in rat brain |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50122871
(7-Amino-6-chloro-10,13-dioxa-2,16-diaza-tricyclo[1...)Show SMILES Nc1cc2OCCOCCN3CCC(CC3)NC(=O)c2cc1Cl |(-1.23,-5.96,;.1,-5.19,;1.43,-5.96,;2.77,-5.19,;4.1,-5.96,;4.1,-7.49,;5.33,-8.36,;7.24,-7.78,;8.8,-8.71,;10.27,-7.82,;10.27,-5.68,;9.34,-4.92,;8.29,-2.86,;6.75,-2.86,;7.89,-3.75,;8.59,-5.56,;5.43,-3.63,;4.08,-2.87,;4.08,-1.33,;2.77,-3.64,;1.43,-2.87,;.1,-3.65,;-1.23,-2.88,)| Show InChI InChI=1S/C16H22ClN3O3/c17-13-9-12-15(10-14(13)18)23-8-7-22-6-5-20-3-1-11(2-4-20)19-16(12)21/h9-11H,1-8,18H2,(H,19,21) | PDB
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| 53.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for 5-hydroxytryptamine 3 receptor agonist activity |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
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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| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for affinity against 5-hydroxytryptamine 4 receptor in the myenteric plexus of the guinea pigileum. |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50079306
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)Show InChI InChI=1S/C18H27N5O2/c1-14(2)22-15-6-4-5-7-16(15)23(18(22)25)17(24)19-8-9-21-12-10-20(3)11-13-21/h4-7,14H,8-13H2,1-3H3,(H,19,24) | PDB
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| 91.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for 5-hydroxytryptamine 4 receptor antagonist activity |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
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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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for selectivity for 5-hydroxytryptamine 4 receptor |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50005833
((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 | PDB
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| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Compound was tested for 5-hydroxytryptamine 3 receptor binding affinity |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B/3C/3D/3E
(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
MMDB
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| 152 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Compound was tested for 5-hydroxytryptamine 3 receptor binding affinity |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A/3B/3C/3D/3E
(Homo sapiens (Human)) | BDBM50122878
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)Show InChI InChI=1S/C18H24ClN3O2/c19-14-11-13(16-12(15(14)20)3-10-24-16)17(23)21-7-6-18-4-1-8-22(18)9-2-5-18/h11H,1-10,20H2,(H,21,23) | PDB
MMDB
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| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Compound was tested for selectivity against 5-hydroxytryptamine 3 receptor binding affinity |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
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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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for selectivity for 5-hydroxytryptamine 4 receptor |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
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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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for selectivity for 5-hydroxytryptamine 4 receptor |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50005833
((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 | PDB
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| n/a | n/a | n/a | n/a | 23.7 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Efficient 5-hydroxytryptamine 4 agonist in the rat tunica muscularis mucosae |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(RAT) | BDBM50122873
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCCC(C2)N3C)c1=O |TLB:13:14:22:17.19.18| Show InChI InChI=1S/C20H28N4O2/c1-13(2)23-17-9-4-5-10-18(17)24(20(23)26)19(25)21-14-11-15-7-6-8-16(12-14)22(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,21,25) | PDB
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| n/a | n/a | n/a | n/a | 40.3 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Efficient 5-hydroxytryptamine 4 agonist in the rat tunica muscularis mucosae |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50122878
(4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxyl...)Show InChI InChI=1S/C18H24ClN3O2/c19-14-11-13(16-12(15(14)20)3-10-24-16)17(23)21-7-6-18-4-1-8-22(18)9-2-5-18/h11H,1-10,20H2,(H,21,23) | PDB
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| n/a | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Compound was tested for 5-hydroxytryptamine 4 binding affinity |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(MOUSE) | BDBM50122873
(3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-car...)Show SMILES CC(C)n1c2ccccc2n(C(=O)NC2CC3CCCC(C2)N3C)c1=O |TLB:13:14:22:17.19.18| Show InChI InChI=1S/C20H28N4O2/c1-13(2)23-17-9-4-5-10-18(17)24(20(23)26)19(25)21-14-11-15-7-6-8-16(12-14)22(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,21,25) | PDB
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| n/a | n/a | n/a | n/a | 72 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for ability to stimulate production of cAMP mediated by 5-hydroxytryptamine 4 receptor in mouse Colliculi neurons |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(MOUSE) | BDBM50122877
(3-Ethyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxy...)Show SMILES CCn1c2ccccc2n(C(=O)NC2CC3CCCC(C2)N3C)c1=O |TLB:12:13:21:16.18.17| Show InChI InChI=1S/C19H26N4O2/c1-3-22-16-9-4-5-10-17(16)23(19(22)25)18(24)20-13-11-14-7-6-8-15(12-13)21(14)2/h4-5,9-10,13-15H,3,6-8,11-12H2,1-2H3,(H,20,24) | PDB
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| n/a | n/a | n/a | n/a | 360 | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description
Tested for ability to stimulate production of cAMP mediated by 5-hydroxytryptamine 4 receptor in mouse Colliculi neurons |
J Med Chem 46: 319-44 (2003)
BindingDB Entry DOI: 10.7270/Q2T72J6J |
More data for this
Ligand-Target Pair | |
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