Found 45 hits Enz. Inhib. hit(s) with all data for entry = 4804 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 1A
(Rattus norvegicus (rat)) | BDBM81498
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3 | PDB
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| 9.77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| 21.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50001859
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 | PDB
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| 29.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM30704
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13 Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1 | PDB
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| 34.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM30707
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3 | PDB
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| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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
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| 46.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| 70.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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| 89.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50014945
(3-(2-aminopropyl)-1H-indol-5-ol | CHEMBL275854 | a...)Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3 | PDB
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| 158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM30704
((phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a...)Show SMILES CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]2[C@H]1Cc1cn(C)c3cccc2c13 Show InChI InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1 | PDB
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| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM30707
(2-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-ethanamin...)Show InChI InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3 | PDB
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| 288 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50014945
(3-(2-aminopropyl)-1H-indol-5-ol | CHEMBL275854 | a...)Show InChI InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3 | PDB
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| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50001859
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 | PDB
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| 891 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM81498
(5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-i...)Show InChI InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3 | PDB
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| 912 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50017721
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3 | PDB
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| 977 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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| 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50013515
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r| Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1 | PDB
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| 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM82088
(CAS_15574-96-6 | NSC_27400 | PIZOTIFEN)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3 | PDB
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| 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| 3.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| 3.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50031942
((6aR,9R)-4,6a,7-Trimethyl-4,6,6a,7,8,9-hexahydro-i...)Show SMILES CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |r,c:24| Show InChI InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1 | PDB
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| 4.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50017721
(1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3 | PDB
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| 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM82088
(CAS_15574-96-6 | NSC_27400 | PIZOTIFEN)Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6]-[#6]-c2ccccc-12 Show InChI InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3 | PDB
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| 6.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50017696
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM86698
(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM55121
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM86698
(BENZTROPINE | CAS_132-17-2 | CHEMBL116590 | NSC_23...)Show SMILES CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4| Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(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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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50010859
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM35234
(DL-[7-3H]norepinephrine | NOREPINEPHRINE | Noradre...)Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Rattus norvegicus (rat)) | BDBM50017696
((2-dimethylamino-2-methyl)ethyl-N-dibenzoparathiaz...)Show InChI InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3 | PDB
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| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM U. 114
Curated by PDSP Ki Database
| |
Nature 305: 140-2 (1983)
Article DOI: 10.1038/305140a0
BindingDB Entry DOI: 10.7270/Q2S46QFX |
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