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Compile Data Set for Download or QSAR

Found 118 hits with Last Name = 'eskildsen' and Initial = 'j'   
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
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187877
PNG
((S)-1-{2-[3-(3-fluoro-phenylsulfanyl)-biphenyl-4-y...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1ccc(cc1Sc1cccc(F)c1)-c1ccccc1
Show InChI InChI=1S/C25H24FNO3S/c26-20-8-4-9-21(17-20)31-24-16-19(18-6-2-1-3-7-18)11-12-23(24)30-15-14-27-13-5-10-22(27)25(28)29/h1-4,6-9,11-12,16-17,22H,5,10,13-15H2,(H,28,29)/t22-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445041
PNG
(CHEMBL3098768 | US10195186, Example 48 | US9682967...)
Show SMILES OC(=O)c1cc(ccc1C(=O)Nc1ccc2CCCCc2n1)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O3/c19-18(20,21)11-6-7-12(13(9-11)17(25)26)16(24)23-15-8-5-10-3-1-2-4-14(10)22-15/h5-9H,1-4H2,(H,25,26)(H,22,23,24)
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n/an/a 100n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187875
PNG
(2-(methyl(2-(2-(phenylthio)phenoxy)ethyl)amino)ace...)
Show SMILES CN(CCOc1ccccc1Sc1ccccc1)CC(O)=O
Show InChI InChI=1S/C17H19NO3S/c1-18(13-17(19)20)11-12-21-15-9-5-6-10-16(15)22-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,19,20)
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n/an/a 160n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187888
PNG
((S)-1-{2-[3-(3-fluoro-phenylsulfanyl)-4'-methoxy-b...)
Show SMILES COc1ccc(cc1)-c1ccc(OCCN2CCC[C@H]2C(O)=O)c(Sc2cccc(F)c2)c1
Show InChI InChI=1S/C26H26FNO4S/c1-31-21-10-7-18(8-11-21)19-9-12-24(25(16-19)33-22-5-2-4-20(27)17-22)32-15-14-28-13-3-6-23(28)26(29)30/h2,4-5,7-12,16-17,23H,3,6,13-15H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445042
PNG
(CHEMBL3098767 | US10195186, Example 7 | US9682967,...)
Show SMILES Cc1ccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)nc1C
Show InChI InChI=1S/C16H13F3N2O3/c1-8-3-6-13(20-9(8)2)21-14(22)11-5-4-10(16(17,18)19)7-12(11)15(23)24/h3-7H,1-2H3,(H,23,24)(H,20,21,22)
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n/an/a 170n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187869
PNG
((S)-1-{2-[3-(3-fluoro-phenylsulfanyl)-3'-methoxy-b...)
Show SMILES COc1cccc(c1)-c1ccc(OCCN2CCC[C@H]2C(O)=O)c(Sc2cccc(F)c2)c1
Show InChI InChI=1S/C26H26FNO4S/c1-31-21-7-2-5-18(15-21)19-10-11-24(25(16-19)33-22-8-3-6-20(27)17-22)32-14-13-28-12-4-9-23(28)26(29)30/h2-3,5-8,10-11,15-17,23H,4,9,12-14H2,1H3,(H,29,30)/t23-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445054
PNG
(CHEMBL3098745 | US10195186, Example 1 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)10-6-5-9(15(16,17)18)7-11(10)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 330n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/s2
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n/an/a 360n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from human sortilin incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintillation proxi...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187882
PNG
((S)-1-(2-(2-(3-chlorophenylthio)phenoxy)ethyl)pyrr...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1ccccc1Sc1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClNO3S/c20-14-5-3-6-15(13-14)25-18-9-2-1-8-17(18)24-12-11-21-10-4-7-16(21)19(22)23/h1-3,5-6,8-9,13,16H,4,7,10-12H2,(H,22,23)/t16-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187874
PNG
((S)-1-(2-(4-chloro-2-(3-fluorophenylthio)phenoxy)e...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1ccc(Cl)cc1Sc1cccc(F)c1
Show InChI InChI=1S/C19H19ClFNO3S/c20-13-6-7-17(18(11-13)26-15-4-1-3-14(21)12-15)25-10-9-22-8-2-5-16(22)19(23)24/h1,3-4,6-7,11-12,16H,2,5,8-10H2,(H,23,24)/t16-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445044
PNG
(CHEMBL3098765 | US10195186, Example 36 | US9682967...)
Show SMILES Cc1nccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1
Show InChI InChI=1S/C13H10BrN3O3/c1-7-15-5-4-11(16-7)17-12(18)9-3-2-8(14)6-10(9)13(19)20/h2-6H,1H3,(H,19,20)(H,15,16,17,18)
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n/an/a 490n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187872
PNG
((2S)-1-(2-(2-(3-fluorophenylthio)-4-(thiophen-3-yl...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1ccc(cc1Sc1cccc(F)c1)-c1ccsc1
Show InChI InChI=1S/C23H22FNO3S2/c24-18-3-1-4-19(14-18)30-22-13-16(17-8-12-29-15-17)6-7-21(22)28-11-10-25-9-2-5-20(25)23(26)27/h1,3-4,6-8,12-15,20H,2,5,9-11H2,(H,26,27)/t20-/m0/s1
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n/an/a 520n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187890
PNG
((S)-1-(2-(5-chloro-2-(3-fluorophenylthio)phenoxy)e...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1cc(Cl)ccc1Sc1cccc(F)c1
Show InChI InChI=1S/C19H19ClFNO3S/c20-13-6-7-18(26-15-4-1-3-14(21)12-15)17(11-13)25-10-9-22-8-2-5-16(22)19(23)24/h1,3-4,6-7,11-12,16H,2,5,8-10H2,(H,23,24)/t16-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445058
PNG
(CHEMBL3098741 | US10195186, Example 2 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2ccc(Br)cc2C(O)=O)n1
Show InChI InChI=1S/C14H11BrN2O3/c1-8-3-2-4-12(16-8)17-13(18)10-6-5-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
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n/an/a 710n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445051
PNG
(CHEMBL3098752 | US10195186, Example 5 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2cc(Cl)c(Cl)cc2C(O)=O)n1
Show InChI InChI=1S/C14H10Cl2N2O3/c1-7-3-2-4-12(17-7)18-13(19)8-5-10(15)11(16)6-9(8)14(20)21/h2-6H,1H3,(H,20,21)(H,17,18,19)
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n/an/a 830n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187889
PNG
((S)-1-{2-[4-(3-fluoro-phenylsulfanyl)-biphenyl-3-y...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1cc(ccc1Sc1cccc(F)c1)-c1ccccc1
Show InChI InChI=1S/C25H24FNO3S/c26-20-8-4-9-21(17-20)31-24-12-11-19(18-6-2-1-3-7-18)16-23(24)30-15-14-27-13-5-10-22(27)25(28)29/h1-4,6-9,11-12,16-17,22H,5,10,13-15H2,(H,28,29)/t22-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445055
PNG
(CHEMBL3098744 | US10195186, Example 45 | US9682967...)
Show SMILES CC(C)c1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O
Show InChI InChI=1S/C17H18N2O3/c1-10(2)12-7-8-13(14(9-12)17(21)22)16(20)19-15-6-4-5-11(3)18-15/h4-10H,1-3H3,(H,21,22)(H,18,19,20)
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n/an/a 1.10E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187868
PNG
((S)-1-(2-(3-chloro-2-(3-fluorophenylthio)phenoxy)e...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1cccc(Cl)c1Sc1cccc(F)c1
Show InChI InChI=1S/C19H19ClFNO3S/c20-15-6-2-8-17(18(15)26-14-5-1-4-13(21)12-14)25-11-10-22-9-3-7-16(22)19(23)24/h1-2,4-6,8,12,16H,3,7,9-11H2,(H,23,24)/t16-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445043
PNG
(CHEMBL3098766 | US10195186, Example 39 | US9682967...)
Show SMILES COc1cccc(NC(=O)c2ccc(cc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C15H11F3N2O4/c1-24-12-4-2-3-11(19-12)20-13(21)9-6-5-8(15(16,17)18)7-10(9)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187881
PNG
((S)-1-{2-[4'-chloro-3-(3-fluoro-phenylsulfanyl)-bi...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1ccc(cc1Sc1cccc(F)c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H23ClFNO3S/c26-19-9-6-17(7-10-19)18-8-11-23(24(15-18)32-21-4-1-3-20(27)16-21)31-14-13-28-12-2-5-22(28)25(29)30/h1,3-4,6-11,15-16,22H,2,5,12-14H2,(H,29,30)/t22-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445057
PNG
(CHEMBL3098742 | US10195186, Example 4 | US9682967,...)
Show SMILES Cc1cccc(NC(=O)c2ccc(Cl)cc2C(O)=O)n1
Show InChI InChI=1S/C14H11ClN2O3/c1-8-3-2-4-12(16-8)17-13(18)10-6-5-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
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n/an/a 1.40E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445047
PNG
(CHEMBL3098760 | US10195186, Example 22 | US9682967...)
Show SMILES OC(=O)c1cc(Br)ccc1C(=O)Nc1cccc(Cl)n1
Show InChI InChI=1S/C13H8BrClN2O3/c14-7-4-5-8(9(6-7)13(19)20)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,19,20)(H,16,17,18)
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n/an/a 1.60E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445053
PNG
(CHEMBL3098746)
Show SMILES Cc1cccc(NC(=O)c2ccc(cc2C(O)=O)[N+]([O-])=O)n1
Show InChI InChI=1S/C14H11N3O5/c1-8-3-2-4-12(15-8)16-13(18)10-6-5-9(17(21)22)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,15,16,18)
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n/an/a 1.70E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445045
PNG
(CHEMBL3098764 | US10195186, Example 25 | US9682967...)
Show SMILES Cc1cc(NC(=O)c2ccc(Br)cc2C(O)=O)ccn1
Show InChI InChI=1S/C14H11BrN2O3/c1-8-6-10(4-5-16-8)17-13(18)11-3-2-9(15)7-12(11)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
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n/an/a 1.80E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445046
PNG
(CHEMBL3098761 | US10195186, Example 24 | US9682967...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(Br)cc2C(O)=O)c1
Show InChI InChI=1S/C14H11BrN2O3/c1-8-4-5-16-12(6-8)17-13(18)10-3-2-9(15)7-11(10)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
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n/an/a 2.40E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445050
PNG
(CHEMBL3098753 | US10195186, Example 15 | US9682967...)
Show SMILES Cc1cccc(NC(=O)c2cc(C)c(C)cc2C(O)=O)n1
Show InChI InChI=1S/C16H16N2O3/c1-9-7-12(13(16(20)21)8-10(9)2)15(19)18-14-6-4-5-11(3)17-14/h4-8H,1-3H3,(H,20,21)(H,17,18,19)
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n/an/a 3.40E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445048
PNG
(CHEMBL3098759 | US10195186, Example 21 | US9682967...)
Show SMILES OC(=O)c1cc(Br)ccc1C(=O)Nc1ccccn1
Show InChI InChI=1S/C13H9BrN2O3/c14-8-4-5-9(10(7-8)13(18)19)12(17)16-11-3-1-2-6-15-11/h1-7H,(H,18,19)(H,15,16,17)
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n/an/a 3.60E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187886
PNG
(2-((2-(2-(3-chlorophenylthio)phenoxy)ethyl)(methyl...)
Show SMILES CN(CCOc1ccccc1Sc1cccc(Cl)c1)CC(O)=O
Show InChI InChI=1S/C17H18ClNO3S/c1-19(12-17(20)21)9-10-22-15-7-2-3-8-16(15)23-14-6-4-5-13(18)11-14/h2-8,11H,9-10,12H2,1H3,(H,20,21)
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n/an/a 3.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445039
PNG
(CHEMBL3098769)
Show SMILES CC(C)C[C@H](NCc1c(O)ccc2c(C)cc(=O)oc12)C(O)=O
Show InChI InChI=1/C17H21NO5/c1-9(2)6-13(17(21)22)18-8-12-14(19)5-4-11-10(3)7-15(20)23-16(11)12/h4-5,7,9,13,18-19H,6,8H2,1-3H3,(H,21,22)/t13-/s2
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n/an/a 4.00E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187873
PNG
(2-((2-(2-(3-fluorophenylthio)phenoxy)ethyl)(methyl...)
Show SMILES CN(CCOc1ccccc1Sc1cccc(F)c1)CC(O)=O
Show InChI InChI=1S/C17H18FNO3S/c1-19(12-17(20)21)9-10-22-15-7-2-3-8-16(15)23-14-6-4-5-13(18)11-14/h2-8,11H,9-10,12H2,1H3,(H,20,21)
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n/an/a 5.10E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445049
PNG
(CHEMBL3098758)
Show SMILES Cc1cccc(NC(=O)c2ccc(Br)cc2C(O)=O)c1
Show InChI InChI=1S/C15H12BrNO3/c1-9-3-2-4-11(7-9)17-14(18)12-6-5-10(16)8-13(12)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
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n/an/a 5.20E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445056
PNG
(CHEMBL3098743 | US10195186, Example 3 | US9682967,...)
Show SMILES Cc1ccc(C(=O)Nc2cccc(C)n2)c(c1)C(O)=O
Show InChI InChI=1S/C15H14N2O3/c1-9-6-7-11(12(8-9)15(19)20)14(18)17-13-5-3-4-10(2)16-13/h3-8H,1-2H3,(H,19,20)(H,16,17,18)
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n/an/a 6.40E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187879
PNG
(2-((2-(2-(3-chlorophenylthio)phenoxy)ethyl)(ethyl)...)
Show SMILES CCN(CCOc1ccccc1Sc1cccc(Cl)c1)CC(O)=O
Show InChI InChI=1S/C18H20ClNO3S/c1-2-20(13-18(21)22)10-11-23-16-8-3-4-9-17(16)24-15-7-5-6-14(19)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,21,22)
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n/an/a 7.30E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187871
PNG
(2-((2-(2-(4-chlorophenylthio)phenoxy)ethyl)(methyl...)
Show SMILES CN(CCOc1ccccc1Sc1ccc(Cl)cc1)CC(O)=O
Show InChI InChI=1S/C17H18ClNO3S/c1-19(12-17(20)21)10-11-22-15-4-2-3-5-16(15)23-14-8-6-13(18)7-9-14/h2-9H,10-12H2,1H3,(H,20,21)
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n/an/a 7.80E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187863
PNG
((S)-2-((1-(2-(3-fluorophenylthio)phenoxy)propan-2-...)
Show SMILES C[C@@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(O)=O
Show InChI InChI=1S/C18H20FNO3S/c1-13(20(2)11-18(21)22)12-23-16-8-3-4-9-17(16)24-15-7-5-6-14(19)10-15/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445040
PNG
(CHEMBL3098751)
Show SMILES Cc1cccc(NC(=O)c2cc(ccc2C(O)=O)C(F)(F)F)n1
Show InChI InChI=1S/C15H11F3N2O3/c1-8-3-2-4-12(19-8)20-13(21)11-7-9(15(16,17)18)5-6-10(11)14(22)23/h2-7H,1H3,(H,22,23)(H,19,20,21)
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n/an/a 9.10E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187866
PNG
(2-((2-(2-(4-tert-butylphenylthio)phenoxy)ethyl)(me...)
Show SMILES CN(CCOc1ccccc1Sc1ccc(cc1)C(C)(C)C)CC(O)=O
Show InChI InChI=1S/C21H27NO3S/c1-21(2,3)16-9-11-17(12-10-16)26-19-8-6-5-7-18(19)25-14-13-22(4)15-20(23)24/h5-12H,13-15H2,1-4H3,(H,23,24)
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n/an/a 9.20E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187864
PNG
(2-((1-(2-(3-fluorophenylthio)phenoxy)butan-2-yl)(m...)
Show SMILES CCC(COc1ccccc1Sc1cccc(F)c1)N(C)CC(O)=O
Show InChI InChI=1/C19H22FNO3S/c1-3-15(21(2)12-19(22)23)13-24-17-9-4-5-10-18(17)25-16-8-6-7-14(20)11-16/h4-11,15H,3,12-13H2,1-2H3,(H,22,23)
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n/an/a 1.10E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187870
PNG
((R)-2-((1-(2-(3-fluorophenylthio)phenoxy)propan-2-...)
Show SMILES C[C@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(O)=O
Show InChI InChI=1S/C18H20FNO3S/c1-13(20(2)11-18(21)22)12-23-16-8-3-4-9-17(16)24-15-7-5-6-14(19)10-15/h3-10,13H,11-12H2,1-2H3,(H,21,22)/t13-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Neurotensin receptor 3


(Homo sapiens (Human))
BDBM50445052
PNG
(CHEMBL3098748)
Show SMILES Cc1cccc(NC(=O)c2cc(Br)ccc2C(O)=O)n1
Show InChI InChI=1S/C14H11BrN2O3/c1-8-3-2-4-12(16-8)17-13(18)11-7-9(15)5-6-10(11)14(19)20/h2-7H,1H3,(H,19,20)(H,16,17,18)
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MMDB

NCI pathway
Reactome pathway
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n/an/a 1.20E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-neurotensin from sortilin (unknown origin) incubated 30 mins prior to [3H]-neurotensin addition measured after 6 hrs by scintill...


Bioorg Med Chem Lett 24: 177-80 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.046
BindingDB Entry DOI: 10.7270/Q2RN39BB
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187883
PNG
(2-((2-(2-(4-fluorophenylthio)phenoxy)ethyl)(methyl...)
Show SMILES CN(CCOc1ccccc1Sc1ccc(F)cc1)CC(O)=O
Show InChI InChI=1S/C17H18FNO3S/c1-19(12-17(20)21)10-11-22-15-4-2-3-5-16(15)23-14-8-6-13(18)7-9-14/h2-9H,10-12H2,1H3,(H,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187885
PNG
(2-((1-(2-(3-fluorophenylthio)phenoxy)-3-methylbuta...)
Show SMILES CC(C)C(COc1ccccc1Sc1cccc(F)c1)N(C)CC(O)=O
Show InChI InChI=1/C20H24FNO3S/c1-14(2)17(22(3)12-20(23)24)13-25-18-9-4-5-10-19(18)26-16-8-6-7-15(21)11-16/h4-11,14,17H,12-13H2,1-3H3,(H,23,24)
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n/an/a 1.80E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187884
PNG
((S)-1-(2-(2-chloro-6-(3-fluorophenylthio)phenoxy)e...)
Show SMILES OC(=O)[C@@H]1CCCN1CCOc1c(Cl)cccc1Sc1cccc(F)c1
Show InChI InChI=1S/C19H19ClFNO3S/c20-15-6-2-8-17(26-14-5-1-4-13(21)12-14)18(15)25-11-10-22-9-3-7-16(22)19(23)24/h1-2,4-6,8,12,16H,3,7,9-11H2,(H,23,24)/t16-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187878
PNG
((R)-1-(2-(2-(3-chlorophenylthio)phenoxy)ethyl)pyrr...)
Show SMILES OC(=O)[C@H]1CCCN1CCOc1ccccc1Sc1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClNO3S/c20-14-5-3-6-15(13-14)25-18-9-2-1-8-17(18)24-12-11-21-10-4-7-16(21)19(22)23/h1-3,5-6,8-9,13,16H,4,7,10-12H2,(H,22,23)/t16-/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187867
PNG
(2-((2-(2-(3-chlorophenylthio)phenoxy)ethyl)(methyl...)
Show SMILES CC(N(C)CCOc1ccccc1Sc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1/C18H20ClNO3S/c1-13(18(21)22)20(2)10-11-23-16-8-3-4-9-17(16)24-15-7-5-6-14(19)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,22)
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n/an/a 2.60E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187865
PNG
(2-((2-(2-(4-methoxyphenylthio)phenoxy)ethyl)(methy...)
Show SMILES COc1ccc(Sc2ccccc2OCCN(C)CC(O)=O)cc1
Show InChI InChI=1S/C18H21NO4S/c1-19(13-18(20)21)11-12-23-16-5-3-4-6-17(16)24-15-9-7-14(22-2)8-10-15/h3-10H,11-13H2,1-2H3,(H,20,21)
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n/an/a 3.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187876
PNG
(2-(methyl(2-(2-(p-tolylthio)phenoxy)ethyl)amino)ac...)
Show SMILES CN(CCOc1ccccc1Sc1ccc(C)cc1)CC(O)=O
Show InChI InChI=1S/C18H21NO3S/c1-14-7-9-15(10-8-14)23-17-6-4-3-5-16(17)22-12-11-19(2)13-18(20)21/h3-10H,11-13H2,1-2H3,(H,20,21)
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n/an/a 4.70E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187880
PNG
(2-((2-(2-(3-chlorophenylthio)phenoxy)ethyl)(ethyl)...)
Show SMILES CCN(CCOc1ccccc1Sc1cccc(Cl)c1)C(C)C(O)=O
Show InChI InChI=1/C19H22ClNO3S/c1-3-21(14(2)19(22)23)11-12-24-17-9-4-5-10-18(17)25-16-8-6-7-15(20)13-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50187887
PNG
(2-((2-(2-(4-acetamidophenylthio)phenoxy)ethyl)(met...)
Show SMILES CN(CCOc1ccccc1Sc1ccc(NC(C)=O)cc1)CC(O)=O
Show InChI InChI=1S/C19H22N2O4S/c1-14(22)20-15-7-9-16(10-8-15)26-18-6-4-3-5-17(18)25-12-11-21(2)13-19(23)24/h3-10H,11-13H2,1-2H3,(H,20,22)(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]glycine uptake at human GlyT1b transporter


Bioorg Med Chem Lett 16: 3981-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.017
BindingDB Entry DOI: 10.7270/Q2NS0TGN
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM193784
PNG
(US9670209, Compound 302 1-((R)-3-((1R,3R,5S)-3-(cy...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccccc12
Show InChI InChI=1/C22H31N3O/c1-16(14-25-22-5-3-2-4-18(22)12-23-25)13-24-19-8-9-20(24)11-21(10-19)26-15-17-6-7-17/h2-5,12,16-17,19-21H,6-11,13-15H2,1H3/t16-,19-,20+,21+/s2
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US Patent
n/an/an/an/a 1.30n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...


US Patent US9670209 (2017)


Article DOI: 10.1021/jm0211063
BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
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