Found 13 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 |
|---|
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50377050
(CHEMBL403858 | PH-709829)Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50377049
(CHEMBL258031)Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2occc2c1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C16H18N2O2/c19-16(13-1-2-15-12(8-13)4-6-20-15)17-14-7-11-3-5-18(9-11)10-14/h1-2,4,6,8,11,14H,3,5,7,9-10H2,(H,17,19)/t11-,14-/m1/s1 | PDB
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| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50190786
((R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carb...)Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)| Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in human IMR32 cells |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50377048
(CHEMBL403857)Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2sccc2cn1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C15H17N3OS/c19-15(13-6-14-11(7-16-13)2-4-20-14)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1 | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Homo sapiens (Human)) | BDBM50377050
(CHEMBL403858 | PH-709829)Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in human IMR32 cells |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50190786
((R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carb...)Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)| Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50377047
(CHEMBL404299)Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccn2cn1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C15H18N4O/c20-15(14-7-13-2-1-4-19(13)10-16-14)17-12-6-11-3-5-18(8-11)9-12/h1-2,4,7,10-12H,3,5-6,8-9H2,(H,17,20)/t11-,12-/m1/s1 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50377051
(CHEMBL256578)Show SMILES Clc1ccc(cc1)C(=O)N[C@@H]1C[C@H]2CCN(C2)C1 |TLB:9:10:16:14.13| Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-7-10-5-6-17(8-10)9-13/h1-4,10,13H,5-9H2,(H,16,18)/t10-,13-/m1/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50377053
(CHEMBL258239)Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2ncsc2c1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C15H17N3OS/c19-15(11-1-2-13-14(6-11)20-9-16-13)17-12-5-10-3-4-18(7-10)8-12/h1-2,6,9-10,12H,3-5,7-8H2,(H,17,19)/t10-,12-/m1/s1 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50161764
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)| Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor subunit alpha-7
(Rattus norvegicus (Rat)) | BDBM50377052
(CHEMBL257145)Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1ccc2OCCOc2c1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C16H20N2O3/c19-16(17-13-7-11-3-4-18(9-11)10-13)12-1-2-14-15(8-12)21-6-5-20-14/h1-2,8,11,13H,3-7,9-10H2,(H,17,19)/t11-,13-/m1/s1 | PDB
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]MLA from alpha-7 nACh receptor in rat brain |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(RAT) | BDBM50377050
(CHEMBL403858 | PH-709829)Show SMILES O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2ccoc2cn1 |TLB:2:3:9:7.6| Show InChI InChI=1S/C15H17N3O2/c19-15(13-6-11-2-4-20-14(11)7-16-13)17-12-5-10-1-3-18(8-10)9-12/h2,4,6-7,10,12H,1,3,5,8-9H2,(H,17,19)/t10-,12-/m1/s1 | PDB
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| 350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to rat 5HT3 receptor |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(RAT) | BDBM50190786
((R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carb...)Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)| Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1 | PDB
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| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to rat 5HT3 receptor |
Bioorg Med Chem Lett 18: 3611-5 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.070
BindingDB Entry DOI: 10.7270/Q2KD1ZS9 |
More data for this
Ligand-Target Pair | |
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