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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'carolo' and Initial = 'c'   
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
HTR6


(RAT)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
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
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1.51n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM21342
PNG
((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
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1.86n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50027065
PNG
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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2.34n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50024202
PNG
(5-HT,omega-N-Me | 5-OH-ME-Nw Tryptamine | CHEMBL27...)
Show SMILES CNCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3
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3.01n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
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
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3.71n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50024206
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-5-ol | 3-[2-(d...)
Show SMILES CN(C)CCc1c[nH]c2ccc(O)cc12
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
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4.46n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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7.24n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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11.2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
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
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12.6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM21342
PNG
((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
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16.6n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
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
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29.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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30.2n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3
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30.9n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50001775
PNG
((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
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33.9n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM30704
PNG
((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
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50.1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50014406
PNG
(2-Me 5-HT | 2-Methyl-5-hydroxytryptamine | 2-methy...)
Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN
Show InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
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52.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM35256
PNG
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)
Show SMILES [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
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60.3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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72.4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50024202
PNG
(5-HT,omega-N-Me | 5-OH-ME-Nw Tryptamine | CHEMBL27...)
Show SMILES CNCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3
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107n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50027065
PNG
((5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)e...)
Show SMILES CN1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O |r,c:4|
Show InChI InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
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107n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50024206
PNG
(3-[2-(dimethylamino)ethyl]-1H-indol-5-ol | 3-[2-(d...)
Show SMILES CN(C)CCc1c[nH]c2ccc(O)cc12
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
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112n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM35256
PNG
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)
Show SMILES [H][C@]12CN(C)CCN1c1ccccc1Cc1ccccc21 |r|
Show InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3/t18-/m1/s1
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123n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM82087
PNG
(2-(5-methoxy-1H-indol-3-yl)ethanamine | 5-MT | 5-M...)
Show SMILES COc1ccc2[nH]cc(CCN)c2c1
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
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129n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
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
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158n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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186n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
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
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234n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50031942
PNG
((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
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257n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM30704
PNG
((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
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263n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM82302
PNG
(5-BENZYLOXYTRYPTAMINE | 5-BZT | CAS_20776-45-8 | C...)
Show SMILES NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
Show InChI InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
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295n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50001775
PNG
((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
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316n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50031942
PNG
((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
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339n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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339n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50014406
PNG
(2-Me 5-HT | 2-Methyl-5-hydroxytryptamine | 2-methy...)
Show SMILES Cc1[nH]c2ccc(O)cc2c1CCN
Show InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
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562n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50024210
PNG
(1H-indole-3-ethanamine | 2-(1H-indol-3-yl)ethanami...)
Show SMILES NCCc1c[nH]c2ccccc12
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
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1.48E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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1.74E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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3.47E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50024204
PNG
(1H-imidazo[4,5-c]pyridine derivative | 2N-[4,7-dim...)
Show SMILES CN(C)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
Show InChI InChI=1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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7.94E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50130280
PNG
(5-HTQ | B3361[2-(5-Hydroxy-1H-indol-3-yl)-ethyl]-t...)
Show SMILES C[N+](C)(C)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C13H18N2O/c1-15(2,3)7-6-10-9-14-13-5-4-11(16)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50130280
PNG
(5-HTQ | B3361[2-(5-Hydroxy-1H-indol-3-yl)-ethyl]-t...)
Show SMILES C[N+](C)(C)CCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C13H18N2O/c1-15(2,3)7-6-10-9-14-13-5-4-11(16)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3/p+1
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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Neuropharmacology 36: 713-20 (1997)


Article DOI: 10.1016/s0028-3908(97)00019-1
BindingDB Entry DOI: 10.7270/Q2MW2FP8
More data for this
Ligand-Target Pair