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Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'ichise' and Initial = 'm'   
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
Sodium-dependent serotonin transporter


(MOUSE)
BDBM86422
PNG
(CAS_61869-08-7 | NSC_43815 | PAROXETINE | US987368...)
Show SMILES Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2
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4.70n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent noradrenaline transporter


(MOUSE)
BDBM22417
PNG
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)
Show SMILES CNCCC(Oc1ccccc1OC)c1ccccc1
Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3
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PubMed
7.05E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(MOUSE)
BDBM84738
PNG
(CAS_16105-77-4 | Fenfluramine | Fenfluramine (+) |...)
Show SMILES CCNC(C)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3
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PubMed
7.05E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(MOUSE)
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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PubMed
8.11E+3n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Mus musculus (Mouse))
BDBM85098
PNG
(N-[5-[5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-y...)
Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(cc1-[#7][S;v6](=O)(=O)c1ccc(cc1)C(F)(F)F)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]C2([#6]-[#6]-1)[#7]-[#6](=O)-[#7]-[#6]2=O
Show InChI InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-8-6-17(7-9-18)27(28,29)30)15-19(22)21(35)5-3-4-12-34-13-10-26(11-14-34)24(36)31-25(37)32-26/h6-9,15-16,33H,3-5,10-14H2,1-2H3,(H2,31,32,36,37)
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(MOUSE)
BDBM22167
PNG
(1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)pip...)
Show SMILES C(CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)Cc1ccccc1
Show InChI InChI=1S/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Mus musculus (Mouse))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Mus musculus (Mouse))
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/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;1H
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>1.00E+4n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair