Found 17 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 |
|---|
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81980
(Butanserin | CAS_87051-46-5 | NSC_65652)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31) | PDB
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| 1.86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM81981
(7-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)theophyl...)Show SMILES Cn1c2ncn(CCN3CCC(CC3)C(=O)c3ccc(F)cc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3 | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50001775
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM81978
(CAS_159037 | NSC_159037 | R 56413)Show SMILES [#6]-c1nc2ccccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H27F2N3O/c1-20-26(29(35)34-16-3-2-4-27(34)32-20)15-19-33-17-13-23(14-18-33)28(21-5-9-24(30)10-6-21)22-7-11-25(31)12-8-22/h2-12,16H,13-15,17-19H2,1H3 | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81979
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5| Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14) | PDB
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| 28.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
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| 72.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM81980
(Butanserin | CAS_87051-46-5 | NSC_65652)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31) | PDB
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| 75.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81981
(7-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)theophyl...)Show SMILES Cn1c2ncn(CCN3CCC(CC3)C(=O)c3ccc(F)cc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3 | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50001775
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | PDB
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| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM81979
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5| Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14) | PDB
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The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81978
(CAS_159037 | NSC_159037 | R 56413)Show SMILES [#6]-c1nc2ccccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H27F2N3O/c1-20-26(29(35)34-16-3-2-4-27(34)32-20)15-19-33-17-13-23(14-18-33)28(21-5-9-24(30)10-6-21)22-7-11-25(31)12-8-22/h2-12,16H,13-15,17-19H2,1H3 | PDB
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The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM81978
(CAS_159037 | NSC_159037 | R 56413)Show SMILES [#6]-c1nc2ccccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H27F2N3O/c1-20-26(29(35)34-16-3-2-4-27(34)32-20)15-19-33-17-13-23(14-18-33)28(21-5-9-24(30)10-6-21)22-7-11-25(31)12-8-22/h2-12,16H,13-15,17-19H2,1H3 | PDB
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The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM21395
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1 Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29) | PDB
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The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM81981
(7-(2-(4-(4-fluorobenzoyl)piperidino)ethyl)theophyl...)Show SMILES Cn1c2ncn(CCN3CCC(CC3)C(=O)c3ccc(F)cc3)c2c(=O)n(C)c1=O Show InChI InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3 | PDB
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The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM50001775
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | PDB
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The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
Alpha-2C adrenergic receptor
(RAT) | BDBM81979
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:5.5| Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Oregon Health Sciences University
Curated by PDSP Ki Database
| |
Proc Natl Acad Sci U S A 83: 8784-8 (1986)
Article DOI: 10.1073/pnas.83.22.8784
BindingDB Entry DOI: 10.7270/Q2V122XD |
More data for this
Ligand-Target Pair | |
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