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PubMed code 8169832

Compile data set for download or QSAR
Found 9 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
HTR6


(MOUSE)
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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Article
PubMed
1.99n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 269: 246-55 (1994)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2NS0SDB
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
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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PubMed
5.01n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 269: 246-55 (1994)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2NS0SDB
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
BDBM35256
PNG
((S)-mianserin | Lerivon | MIANSERIN | MIANSERIN (+...)
Show SMILES CN1CCN2[C@H](C1)c1ccccc1Cc1ccccc21
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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19.9n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 269: 246-55 (1994)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2NS0SDB
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
BDBM22869
PNG
(6-chloro-10-(4-methylpiperazin-1-yl)-2,9-diazatric...)
Show SMILES CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1
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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31.6n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 269: 246-55 (1994)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2NS0SDB
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
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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39.8n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 269: 246-55 (1994)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2NS0SDB
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
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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PubMed
398n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 269: 246-55 (1994)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2NS0SDB
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
BDBM21395
PNG
(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)
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 269: 246-55 (1994)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2NS0SDB
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
BDBM81781
PNG
(5-HT,a-Me | 5-HT,omega-N-Me)
Show SMILES Cn1cc(CCN)c2cc(O)ccc12
Show InChI InChI=1S/C11H14N2O/c1-13-7-8(4-5-12)10-6-9(14)2-3-11(10)13/h2-3,6-7,14H,4-5,12H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 269: 246-55 (1994)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2NS0SDB
More data for this
Ligand-Target Pair
HTR6


(MOUSE)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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PubMed
2.51E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




J Pharmacol Exp Ther 269: 246-55 (1994)


Article DOI: 10.1016/j.bioorg.2015.04.003
BindingDB Entry DOI: 10.7270/Q2NS0SDB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%