Found 26 hits Enz. Inhib. hit(s) with all data for entry = 4830 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 2A
(Rattus norvegicus (rat)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| Article PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 1.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
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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| 1.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
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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| 1.07 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM21397
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1 Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | PDB
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| 1.24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
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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| 1.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM21342
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | PDB
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| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM21342
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | PDB
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| 3.23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50016900
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+ | PDB
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| 4.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50016900
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+ | PDB
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| 5.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM21342
((4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[...)Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N(CC)CC)c34 |c:12| Show InChI InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | PDB
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| Article PubMed
| 5.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50016900
((E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-...)Show InChI InChI=1S/C20H24N2OS/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23)/b14-13+ | PDB
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| Article PubMed
| 10.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50024206
(3-[2-(dimethylamino)ethyl]-1H-indol-5-ol | 3-[2-(d...)Show InChI InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3 | PDB
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| Article PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | 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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| Article PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | 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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KEGG PC cid PC sid PDB UniChem
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| Article PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50014407
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2 | PDB
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50024206
(3-[2-(dimethylamino)ethyl]-1H-indol-5-ol | 3-[2-(d...)Show InChI InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3 | PDB
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| Article PubMed
| 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | 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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KEGG PC cid PC sid PDB UniChem
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| Article PubMed
| 215 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50014407
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2 | PDB
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| Article PubMed
| 226 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | 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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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
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| Article PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50024206
(3-[2-(dimethylamino)ethyl]-1H-indol-5-ol | 3-[2-(d...)Show InChI InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3 | PDB
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CHEMBL DrugBank KEGG PC cid PC sid UniChem
Patents
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| Article PubMed
| 404 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50024210
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 | PDB
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| 538 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50014407
(2-(piperazin-1-yl)quinoline | 2-Piperazin-1-yl-qui...)Show InChI InChI=1S/C13H15N3/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2 | PDB
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CHEMBL MCE PC cid PC sid UniChem
Patents
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| Article PubMed
| 575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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KEGG PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 647 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50024210
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | BDBM50024210
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)Show InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by PDSP Ki Database
| |
Life Sci 33: 2011-6 (1983)
Article DOI: 10.1016/0024-3205(83)90740-3 BindingDB Entry DOI: 10.7270/Q2DR2T0M |
More data for this Ligand-Target Pair | |