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PubMed code 8301575

Compile data set for download or QSAR
Found 55 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(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)
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0.430n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82562
PNG
(CAS_182595 | NSC_182595 | S 14489)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12
Show InChI InChI=1S/C22H26N2O2/c1-2-5-19-17(4-1)16-18(19)8-9-23-10-12-24(13-11-23)20-6-3-7-21-22(20)26-15-14-25-21/h1-7,18H,8-16H2
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0.610n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.700n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82518
PNG
(CAS_124756-23-6 | MDL 73005 EF)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1
Show InChI InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2
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1.25n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82563
PNG
(CAS_182596 | NSC_182596 | S 15931)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCc2ccccc12
Show InChI InChI=1S/C23H28N2O2/c1-2-5-20-18(4-1)8-9-19(20)10-11-24-12-14-25(15-13-24)21-6-3-7-22-23(21)27-17-16-26-22/h1-7,19H,8-17H2
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1.51n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82367
PNG
(CAS_141533-35-9 | SDZ 216,525 | SDZ 216-525)
Show SMILES COC(=O)c1cc2c(cccc2[nH]1)N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1
Show InChI InChI=1S/C25H28N4O5S/c1-34-25(31)21-17-19-20(26-21)8-6-9-22(19)28-15-13-27(14-16-28)11-4-5-12-29-24(30)18-7-2-3-10-23(18)35(29,32)33/h2-3,6-10,17,26H,4-5,11-16H2,1H3
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1.58n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82564
PNG
(CAS_132787 | NSC_132787 | S 15535)
Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2
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1.77n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.99n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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8.31n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035057
PNG
((eltoprazine)1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)...)
Show SMILES C1CN(CCN1)c1cccc2OCCOc12
Show InChI InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
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9.33n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82369
PNG
(CAS_133025-23-7 | WAY 100,135 | WAY 100135)
Show SMILES COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)/t20-/m1/s1
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32.4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50035057
PNG
((eltoprazine)1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)...)
Show SMILES C1CN(CCN1)c1cccc2OCCOc12
Show InChI InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
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53.7n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM82563
PNG
(CAS_182596 | NSC_182596 | S 15931)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCc2ccccc12
Show InChI InChI=1S/C23H28N2O2/c1-2-5-20-18(4-1)8-9-19(20)10-11-24-12-14-25(15-13-24)21-6-3-7-22-23(21)27-17-16-26-22/h1-7,19H,8-17H2
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53.7n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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100n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM82563
PNG
(CAS_182596 | NSC_182596 | S 15931)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCc2ccccc12
Show InChI InChI=1S/C23H28N2O2/c1-2-5-20-18(4-1)8-9-19(20)10-11-24-12-14-25(15-13-24)21-6-3-7-22-23(21)27-17-16-26-22/h1-7,19H,8-17H2
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115n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21397
PNG
(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)
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115n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82562
PNG
(CAS_182595 | NSC_182595 | S 14489)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12
Show InChI InChI=1S/C22H26N2O2/c1-2-5-19-17(4-1)16-18(19)8-9-23-10-12-24(13-11-23)20-6-3-7-21-22(20)26-15-14-25-21/h1-7,18H,8-16H2
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141n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM82562
PNG
(CAS_182595 | NSC_182595 | S 14489)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12
Show InChI InChI=1S/C22H26N2O2/c1-2-5-19-17(4-1)16-18(19)8-9-23-10-12-24(13-11-23)20-6-3-7-21-22(20)26-15-14-25-21/h1-7,18H,8-16H2
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151n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM50035057
PNG
((eltoprazine)1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)...)
Show SMILES C1CN(CCN1)c1cccc2OCCOc12
Show InChI InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
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170n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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182n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82563
PNG
(CAS_182596 | NSC_182596 | S 15931)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCc2ccccc12
Show InChI InChI=1S/C23H28N2O2/c1-2-5-20-18(4-1)8-9-19(20)10-11-24-12-14-25(15-13-24)21-6-3-7-22-23(21)27-17-16-26-22/h1-7,19H,8-17H2
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191n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82564
PNG
(CAS_132787 | NSC_132787 | S 15535)
Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2
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214n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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234n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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363n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM82562
PNG
(CAS_182595 | NSC_182595 | S 14489)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12
Show InChI InChI=1S/C22H26N2O2/c1-2-5-19-17(4-1)16-18(19)8-9-23-10-12-24(13-11-23)20-6-3-7-21-22(20)26-15-14-25-21/h1-7,18H,8-16H2
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372n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82563
PNG
(CAS_182596 | NSC_182596 | S 15931)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1CCc2ccccc12
Show InChI InChI=1S/C23H28N2O2/c1-2-5-20-18(4-1)8-9-19(20)10-11-24-12-14-25(15-13-24)21-6-3-7-22-23(21)27-17-16-26-22/h1-7,19H,8-17H2
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417n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM82518
PNG
(CAS_124756-23-6 | MDL 73005 EF)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1
Show InChI InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2
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427n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM82564
PNG
(CAS_132787 | NSC_132787 | S 15535)
Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2
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537n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82562
PNG
(CAS_182595 | NSC_182595 | S 14489)
Show SMILES C(CN1CCN(CC1)c1cccc2OCCOc12)C1Cc2ccccc12
Show InChI InChI=1S/C22H26N2O2/c1-2-5-19-17(4-1)16-18(19)8-9-23-10-12-24(13-11-23)20-6-3-7-21-22(20)26-15-14-25-21/h1-7,18H,8-16H2
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603n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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646n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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776n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM21397
PNG
(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)
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977n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM82369
PNG
(CAS_133025-23-7 | WAY 100,135 | WAY 100135)
Show SMILES COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)/t20-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM82564
PNG
(CAS_132787 | NSC_132787 | S 15535)
Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM21397
PNG
(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)
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM82518
PNG
(CAS_124756-23-6 | MDL 73005 EF)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1
Show InChI InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(RAT)
BDBM50035057
PNG
((eltoprazine)1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)...)
Show SMILES C1CN(CCN1)c1cccc2OCCOc12
Show InChI InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
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1.00E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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1.07E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50035057
PNG
((eltoprazine)1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)...)
Show SMILES C1CN(CCN1)c1cccc2OCCOc12
Show InChI InChI=1S/C12H16N2O2/c1-2-10(14-6-4-13-5-7-14)12-11(3-1)15-8-9-16-12/h1-3,13H,4-9H2
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1.38E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50280934
PNG
(1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2...)
Show SMILES CC(C)(C)NCC(O)COc1cccc2CCCSc12
Show InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
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1.45E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82518
PNG
(CAS_124756-23-6 | MDL 73005 EF)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1
Show InChI InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2
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1.62E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.74E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82564
PNG
(CAS_132787 | NSC_132787 | S 15535)
Show SMILES C1C(Cc2ccccc12)N1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1S/C21H24N2O2/c1-2-5-17-15-18(14-16(17)4-1)22-8-10-23(11-9-22)19-6-3-7-20-21(19)25-13-12-24-20/h1-7,18H,8-15H2
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PubMed
1.74E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM82369
PNG
(CAS_133025-23-7 | WAY 100,135 | WAY 100135)
Show SMILES COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)/t20-/m1/s1
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3.47E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM82369
PNG
(CAS_133025-23-7 | WAY 100,135 | WAY 100135)
Show SMILES COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)/t20-/m1/s1
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3.47E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
HTR2C


(PIG)
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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4.47E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82518
PNG
(CAS_124756-23-6 | MDL 73005 EF)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCNCC1COc2ccccc2O1
Show InChI InChI=1S/C20H26N2O4/c23-18-11-20(7-3-4-8-20)12-19(24)22(18)10-9-21-13-15-14-25-16-5-1-2-6-17(16)26-15/h1-2,5-6,15,21H,3-4,7-14H2
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PubMed
4.57E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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PubMed
5.01E+3n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM21397
PNG
(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)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
Serotonin 1B/1D receptor


(Rattus norvegicus (Rat))
BDBM82369
PNG
(CAS_133025-23-7 | WAY 100,135 | WAY 100135)
Show SMILES COc1ccccc1N1CCN(C[C@@H](C(=O)NC(C)(C)C)c2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)/t20-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 337-52 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.004
BindingDB Entry DOI: 10.7270/Q2H130HG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%