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Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'gilmour' and Initial = 'bp'   
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
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/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-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS1 receptor expressed in CHO-K1 cells by competitive binding assay


J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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1.40n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS1 receptor expressed in CHO-K1 cells by competitive binding assay


J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/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-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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2n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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5.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS2 receptor expressed in CHO-K1 cells by competitive binding assay


J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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6n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)|
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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7n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/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-/m0/s1
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19n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/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-/m0/s1
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21n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50041428
PNG
(CHEMBL3356855)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:24.27,(22.57,-23.73,;23.91,-24.49,;23.91,-26.03,;22.58,-26.8,;22.58,-28.35,;23.92,-29.12,;25.25,-28.35,;26.59,-29.11,;26.59,-30.65,;25.25,-26.8,;26.57,-26.02,;27.91,-26.79,;29.24,-26.02,;29.24,-24.48,;27.88,-23.72,;27.87,-22.19,;26.55,-21.44,;25.22,-22.22,;23.88,-21.46,;25.24,-23.72,;26.57,-24.49,;30.58,-26.78,;30.58,-28.32,;31.91,-26.01,;33.24,-26.77,;34.58,-26,;35.91,-26.77,;37.24,-26.01,;37.24,-24.46,;35.91,-23.69,;34.57,-24.47,;33.25,-28.32,;31.92,-29.09,;34.59,-29.08,)|
Show InChI InChI=1/C25H26ClN3O5/c1-33-18-9-6-10-19(34-2)20(18)22-16-13-15(26)11-12-17(16)27-23(28-22)24(30)29-21(25(31)32)14-7-4-3-5-8-14/h6,9-14,21H,3-5,7-8H2,1-2H3,(H,29,30)(H,31,32)/t21-/s2
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>25n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50041429
PNG
(CHEMBL3356854)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:24.27,(2.86,-22.1,;4.19,-22.87,;4.2,-24.41,;2.87,-25.18,;2.87,-26.72,;4.2,-27.49,;5.54,-26.72,;6.87,-27.49,;6.87,-29.03,;5.53,-25.17,;6.86,-24.4,;8.19,-25.17,;9.52,-24.39,;9.52,-22.85,;8.17,-22.09,;8.16,-20.57,;6.83,-19.81,;5.51,-20.59,;4.17,-19.84,;5.52,-22.09,;6.85,-22.87,;10.86,-25.16,;10.87,-26.7,;12.19,-24.38,;13.53,-25.15,;14.86,-24.38,;16.2,-25.14,;17.53,-24.37,;16.2,-26.68,;13.54,-26.69,;12.2,-27.47,;14.87,-27.46,)|
Show InChI InChI=1/C23H24ClN3O5/c1-12(2)10-16(23(29)30)26-22(28)21-25-15-9-8-13(24)11-14(15)20(27-21)19-17(31-3)6-5-7-18(19)32-4/h5-9,11-12,16H,10H2,1-4H3,(H,26,28)(H,29,30)/t16-/s2
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>25n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50041427
PNG
(CHEMBL3356853)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)NC1(CCCCC1)C(O)=O |(41.35,-22.47,;42.69,-23.24,;42.69,-24.79,;41.36,-25.56,;41.36,-27.11,;42.7,-27.88,;44.04,-27.1,;45.37,-27.87,;45.38,-29.42,;44.03,-25.55,;45.36,-24.78,;46.7,-25.55,;48.03,-24.77,;48.03,-23.23,;46.67,-22.47,;46.66,-20.94,;45.33,-20.18,;44.01,-20.96,;42.66,-20.21,;44.02,-22.47,;45.35,-23.24,;49.37,-25.54,;49.38,-27.08,;50.71,-24.76,;52.04,-25.53,;53.38,-26.3,;54.7,-25.53,;54.71,-23.99,;53.38,-23.22,;52.04,-23.99,;52.05,-27.08,;50.72,-27.85,;53.39,-27.84,)|
Show InChI InChI=1S/C24H24ClN3O5/c1-32-17-7-6-8-18(33-2)19(17)20-15-13-14(25)9-10-16(15)26-21(27-20)22(29)28-24(23(30)31)11-4-3-5-12-24/h6-10,13H,3-5,11-12H2,1-2H3,(H,28,29)(H,30,31)
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>25n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 1 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/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-/m0/s1
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28n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS2 receptor expressed in CHO-K1 cells by competitive binding assay


J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019405
PNG
(LEVOCABASTINE | R-50547)
Show SMILES C[C@@H]1CN(CC[C@]1(C(O)=O)c1ccccc1)[C@H]1CC[C@](CC1)(C#N)c1ccc(F)cc1 |wU:6.7,16.17,19.24,wD:1.0,6.10,19.26,(9.61,3.85,;8.28,3.08,;8.28,1.54,;6.95,.77,;5.61,1.54,;5.61,3.08,;6.95,3.85,;7.67,5.21,;9.21,5.26,;7.78,6.75,;6.22,5.21,;4.68,5.26,;3.96,6.62,;4.78,7.93,;6.32,7.88,;7.04,6.52,;6.95,-.77,;8.28,-1.54,;8.28,-3.08,;6.95,-3.85,;5.61,-3.08,;5.61,-1.54,;6.22,-5.21,;5.5,-6.57,;7.67,-5.21,;9.21,-5.26,;9.93,-6.62,;9.11,-7.93,;9.84,-9.29,;7.57,-7.88,;6.85,-6.52,)|
Show InChI InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1
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33n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50240845
PNG
((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
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33n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50248034
PNG
(2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:38:37:35:31.32.33,39:29:35:31.32.33,28:29:31.38.32:36.34.35,THB:38:32:29.37.36:35,39:29:31.38.32:36.34.35,28:29:35:31.32.33,33:32:29:36.34.35,33:34:29:31.38.32,(-7.63,.4,;-6.3,-.36,;-6.29,-1.9,;-7.62,-2.68,;-7.62,-4.22,;-6.29,-4.99,;-4.95,-4.22,;-3.61,-4.99,;-3.61,-6.53,;-4.95,-2.67,;-3.63,-1.9,;-2.22,-2.52,;-1.19,-1.37,;-1.97,-.04,;-3.47,-.36,;-4.62,.66,;-6.08,.17,;-7.22,1.19,;-6.91,2.71,;-5.45,3.19,;-5.14,4.69,;-3.68,5.16,;-3.37,6.67,;-2.53,4.14,;-2.85,2.64,;-4.31,2.16,;.35,-1.53,;.98,-2.93,;1.24,-.27,;2.78,-.43,;3.43,1.2,;4.84,1.23,;6.02,2.07,;5.46,3.5,;3.95,3.52,;2.87,2.58,;3.44,1.99,;4.02,.52,;5.54,.51,;3.42,-1.84,;2.51,-3.09,;4.95,-2,)|
Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
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62n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019426
PNG
(CHEMBL3290089)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1C2CC3CC(C2)CC1C3 |TLB:38:37:35:31.32.33,THB:28:29:35:31.32.33,38:32:29.37.36:35,33:32:29:36.34.35,33:34:29:31.38.32,(32.46,-36.27,;32.94,-34.8,;34.44,-34.48,;35.47,-35.63,;36.98,-35.3,;37.45,-33.84,;36.42,-32.7,;36.9,-31.23,;38.4,-30.91,;34.92,-33.02,;33.58,-31.53,;33.9,-30.02,;32.57,-29.25,;31.42,-30.28,;32.05,-31.69,;31.04,-33.42,;31.81,-34.76,;31.04,-36.09,;29.51,-36.09,;28.74,-34.76,;27.19,-34.76,;26.43,-33.42,;24.89,-33.42,;27.19,-32.09,;28.74,-32.09,;29.51,-33.42,;32.41,-27.72,;33.65,-26.82,;31,-27.09,;30.84,-25.56,;30.47,-23.79,;31.67,-22.96,;32.22,-21.58,;30.93,-20.66,;29.62,-21.49,;29.21,-22.91,;30.03,-23.1,;31.38,-24.05,;32.69,-23.2,)|
Show InChI InChI=1S/C31H31ClN4O3/c1-38-27-4-3-5-28(39-2)29(27)26-16-24(31(37)34-30-19-11-17-10-18(13-19)14-20(30)12-17)35-36(26)25-8-9-33-23-15-21(32)6-7-22(23)25/h3-9,15-20,30H,10-14H2,1-2H3,(H,34,37)
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62n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50041429
PNG
(CHEMBL3356854)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:24.27,(2.86,-22.1,;4.19,-22.87,;4.2,-24.41,;2.87,-25.18,;2.87,-26.72,;4.2,-27.49,;5.54,-26.72,;6.87,-27.49,;6.87,-29.03,;5.53,-25.17,;6.86,-24.4,;8.19,-25.17,;9.52,-24.39,;9.52,-22.85,;8.17,-22.09,;8.16,-20.57,;6.83,-19.81,;5.51,-20.59,;4.17,-19.84,;5.52,-22.09,;6.85,-22.87,;10.86,-25.16,;10.87,-26.7,;12.19,-24.38,;13.53,-25.15,;14.86,-24.38,;16.2,-25.14,;17.53,-24.37,;16.2,-26.68,;13.54,-26.69,;12.2,-27.47,;14.87,-27.46,)|
Show InChI InChI=1/C23H24ClN3O5/c1-12(2)10-16(23(29)30)26-22(28)21-25-15-9-8-13(24)11-14(15)20(27-21)19-17(31-3)6-5-7-18(19)32-4/h5-9,11-12,16H,10H2,1-4H3,(H,26,28)(H,29,30)/t16-/s2
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88n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019413
PNG
(CHEMBL3290097)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCC1)C(O)=O |(21.16,-18.01,;21.64,-16.55,;23.14,-16.23,;24.17,-17.37,;25.68,-17.05,;26.15,-15.59,;25.12,-14.44,;25.6,-12.98,;27.11,-12.66,;23.62,-14.76,;22.28,-13.28,;22.6,-11.77,;21.26,-11,;20.12,-12.03,;20.75,-13.44,;19.75,-15.17,;20.52,-16.5,;19.75,-17.84,;18.21,-17.84,;17.44,-16.5,;15.9,-16.5,;15.13,-15.17,;13.59,-15.17,;15.9,-13.84,;17.44,-13.84,;18.21,-15.17,;21.1,-9.47,;22.35,-8.56,;19.7,-8.84,;19.54,-7.31,;21.08,-7.31,;21.55,-5.85,;20.31,-4.94,;19.06,-5.85,;18.03,-7.63,;17,-6.49,;17.55,-9.09,)|
Show InChI InChI=1S/C27H25ClN4O5/c1-36-22-6-5-7-23(37-2)24(22)21-15-19(25(33)30-27(26(34)35)11-3-4-12-27)31-32(21)20-10-13-29-18-14-16(28)8-9-17(18)20/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,30,33)(H,34,35)
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102n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019419
PNG
(CHEMBL3290103)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O |TLB:34:33:31:27.28.29,24:25:27.34.28:32.30.31,THB:34:28:25.33.32:31,29:28:25:32.30.31,29:30:25:27.34.28,35:25:27.34.28:32.30.31,24:25:31:27.28.29,(56.32,-26.53,;57,-27.91,;56.16,-29.2,;54.62,-29.11,;53.77,-30.4,;54.48,-31.78,;56.01,-31.87,;56.7,-33.24,;55.87,-34.52,;56.85,-30.58,;58.38,-30.66,;58.85,-32.13,;60.39,-32.13,;60.87,-30.67,;59.62,-29.75,;59.62,-28.21,;60.96,-27.45,;60.96,-25.91,;59.62,-25.13,;59.62,-23.59,;58.28,-25.92,;58.29,-27.45,;61.3,-33.38,;60.67,-34.79,;62.83,-33.22,;63.74,-34.46,;64.93,-33.19,;66.26,-33.67,;67.66,-33.33,;67.67,-31.8,;66.27,-31.22,;64.92,-31.7,;65.23,-32.45,;65.24,-34.04,;66.65,-34.6,;63.1,-35.87,;61.57,-36.03,;64.01,-37.12,)|
Show InChI InChI=1S/C29H30FN3O5/c1-37-24-4-3-5-25(38-2)26(24)23-15-22(32-33(23)21-8-6-20(30)7-9-21)27(34)31-29(28(35)36)18-11-16-10-17(13-18)14-19(29)12-16/h3-9,15-19H,10-14H2,1-2H3,(H,31,34)(H,35,36)
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110n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019417
PNG
(CHEMBL3290101)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1cccc2ccccc12)C(=O)NC1(CCCCC1)C(O)=O |(20.81,-16.86,;21.28,-15.39,;22.79,-15.07,;23.82,-16.21,;25.33,-15.89,;25.8,-14.43,;24.77,-13.29,;25.25,-11.82,;26.75,-11.5,;23.27,-13.61,;21.93,-12.12,;22.25,-10.61,;20.91,-9.84,;19.77,-10.87,;20.39,-12.28,;19.39,-14.01,;20.16,-15.35,;19.39,-16.68,;17.85,-16.68,;17.08,-15.35,;15.54,-15.35,;14.77,-14.01,;15.54,-12.68,;17.08,-12.68,;17.85,-14.01,;20.75,-8.31,;22,-7.41,;19.34,-7.68,;19.18,-6.15,;20.72,-6.26,;21.58,-4.98,;20.91,-3.6,;19.37,-3.49,;18.51,-4.77,;17.69,-6.59,;17.33,-8.07,;16.6,-5.5,)|
Show InChI InChI=1S/C29H29N3O5/c1-36-24-14-9-15-25(37-2)26(24)23-18-21(27(33)30-29(28(34)35)16-6-3-7-17-29)31-32(23)22-13-8-11-19-10-4-5-12-20(19)22/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,30,33)(H,34,35)
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116n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50069090
PNG
(CHEMBL3403506)
Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1cccc2ccccc12 |(-5.51,-6.97,;-4.66,-6.08,;-5.09,-4.6,;-6.59,-4.24,;-7.02,-2.76,;-5.96,-1.65,;-4.47,-2.01,;-3.4,-.89,;-3.75,.29,;-4.03,-3.48,;-2.57,-3.96,;-2.09,-5.43,;-.55,-5.42,;.36,-6.66,;1.89,-6.5,;2.39,-5.37,;2.8,-7.74,;3.73,-8.94,;3.11,-10.35,;1.58,-10.52,;.67,-9.28,;1.29,-7.87,;4.33,-7.57,;5.06,-8.57,;4.83,-6.44,;-.08,-3.96,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,)|
Show InChI InChI=1S/C29H29N3O5/c1-36-23-14-9-15-24(37-2)26(23)22-18-25(30-27(33)29(28(34)35)16-6-3-7-17-29)31-32(22)21-13-8-11-19-10-4-5-12-20(19)21/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,34,35)(H,30,31,33)
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128n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS2 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50069089
PNG
(CHEMBL3403505)
Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12 |(-5.51,-6.97,;-4.66,-6.08,;-5.09,-4.6,;-6.59,-4.24,;-7.02,-2.76,;-5.96,-1.65,;-4.47,-2.01,;-3.4,-.89,;-3.75,.29,;-4.03,-3.48,;-2.57,-3.96,;-2.09,-5.43,;-.55,-5.42,;.36,-6.66,;1.89,-6.5,;2.39,-5.37,;2.8,-7.74,;3.73,-8.94,;3.11,-10.35,;1.58,-10.52,;.67,-9.28,;1.29,-7.87,;4.33,-7.57,;5.06,-8.57,;4.83,-6.44,;-.08,-3.96,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,)|
Show InChI InChI=1S/C28H27ClN4O5/c1-37-22-7-6-8-23(38-2)25(22)21-16-24(31-26(34)28(27(35)36)12-4-3-5-13-28)32-33(21)20-11-14-30-19-15-17(29)9-10-18(19)20/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,35,36)(H,31,32,34)
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140n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS2 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019423
PNG
(CHEMBL3290105)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O |(18.77,-17.38,;19.54,-16.04,;21.08,-16.04,;21.85,-17.38,;23.39,-17.38,;24.16,-16.04,;23.39,-14.71,;24.16,-13.38,;25.7,-13.38,;21.85,-14.71,;20.85,-12.98,;21.48,-11.57,;20.33,-10.54,;19,-11.31,;19.32,-12.81,;18.29,-13.96,;18.76,-15.42,;17.73,-16.57,;16.23,-16.25,;15.2,-17.39,;15.75,-14.78,;16.78,-13.64,;20.49,-9.01,;21.9,-8.38,;19.25,-8.1,;19.41,-6.57,;20.9,-7,;21.99,-5.92,;21.62,-4.43,;20.13,-4,;19.04,-5.09,;17.87,-6.68,;17.01,-5.4,;17.2,-8.06,)|
Show InChI InChI=1S/C25H26FN3O5/c1-33-20-7-6-8-21(34-2)22(20)19-15-18(28-29(19)17-11-9-16(26)10-12-17)23(30)27-25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,27,30)(H,31,32)
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140n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019412
PNG
(CHEMBL3290096)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCCC1)C(O)=O |(21.2,-17.42,;21.67,-15.96,;23.18,-15.64,;24.21,-16.78,;25.72,-16.46,;26.19,-15,;25.16,-13.85,;25.64,-12.39,;27.14,-12.07,;23.66,-14.17,;22.32,-12.69,;22.64,-11.18,;21.3,-10.41,;20.16,-11.44,;20.79,-12.85,;19.78,-14.58,;20.55,-15.92,;19.78,-17.25,;18.24,-17.25,;17.47,-15.92,;15.93,-15.92,;15.16,-14.58,;13.62,-14.58,;15.93,-13.25,;17.47,-13.25,;18.24,-14.58,;21.14,-8.88,;22.39,-7.97,;19.74,-8.25,;19.57,-6.72,;21.11,-6.83,;21.97,-5.55,;21.3,-4.17,;19.76,-4.06,;18.9,-5.34,;18.08,-7.16,;17,-6.07,;17.72,-8.64,)|
Show InChI InChI=1S/C28H27ClN4O5/c1-37-23-7-6-8-24(38-2)25(23)22-16-20(26(34)31-28(27(35)36)12-4-3-5-13-28)32-33(22)21-11-14-30-19-15-17(29)9-10-18(19)21/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,31,34)(H,35,36)
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151n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019424
PNG
(CHEMBL3290106)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O
Show InChI InChI=1S/C24H24FN3O4/c1-32-21-8-4-3-7-18(21)20-15-19(27-28(20)17-11-9-16(25)10-12-17)22(29)26-24(23(30)31)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,26,29)(H,30,31)
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153n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019411
PNG
(CHEMBL3290095)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCCCC1)C(O)=O |(20.7,-18.03,;21.17,-16.57,;22.68,-16.25,;23.71,-17.39,;25.22,-17.07,;25.69,-15.61,;24.66,-14.46,;25.14,-13,;26.64,-12.68,;23.16,-14.78,;21.82,-13.29,;22.14,-11.79,;20.8,-11.02,;19.66,-12.05,;20.28,-13.46,;19.28,-15.19,;20.05,-16.52,;19.28,-17.86,;17.74,-17.86,;16.97,-16.52,;15.43,-16.52,;14.66,-15.19,;13.12,-15.19,;15.43,-13.86,;16.97,-13.86,;17.74,-15.19,;20.64,-9.49,;21.89,-8.58,;19.23,-8.86,;19.05,-7.34,;20.61,-7.52,;21.7,-6.43,;21.54,-4.9,;20.24,-4.07,;18.78,-4.57,;18.28,-6.01,;17.62,-7.83,;16.42,-6.86,;17.32,-9.34,)|
Show InChI InChI=1S/C29H29ClN4O5/c1-38-24-8-7-9-25(39-2)26(24)23-17-21(27(35)32-29(28(36)37)13-5-3-4-6-14-29)33-34(23)22-12-15-31-20-16-18(30)10-11-19(20)22/h7-12,15-17H,3-6,13-14H2,1-2H3,(H,32,35)(H,36,37)
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170n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50019412
PNG
(CHEMBL3290096)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCCC1)C(O)=O |(21.2,-17.42,;21.67,-15.96,;23.18,-15.64,;24.21,-16.78,;25.72,-16.46,;26.19,-15,;25.16,-13.85,;25.64,-12.39,;27.14,-12.07,;23.66,-14.17,;22.32,-12.69,;22.64,-11.18,;21.3,-10.41,;20.16,-11.44,;20.79,-12.85,;19.78,-14.58,;20.55,-15.92,;19.78,-17.25,;18.24,-17.25,;17.47,-15.92,;15.93,-15.92,;15.16,-14.58,;13.62,-14.58,;15.93,-13.25,;17.47,-13.25,;18.24,-14.58,;21.14,-8.88,;22.39,-7.97,;19.74,-8.25,;19.57,-6.72,;21.11,-6.83,;21.97,-5.55,;21.3,-4.17,;19.76,-4.06,;18.9,-5.34,;18.08,-7.16,;17,-6.07,;17.72,-8.64,)|
Show InChI InChI=1S/C28H27ClN4O5/c1-37-23-7-6-8-24(38-2)25(23)22-16-20(26(34)31-28(27(35)36)12-4-3-5-13-28)32-33(22)21-11-14-30-19-15-17(29)9-10-18(19)21/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,31,34)(H,35,36)
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177n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS1 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50023628
PNG
(CHEMBL3326831)
Show SMILES CC(C)C[C@H](NC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12)C(O)=O |r|
Show InChI InChI=1/C25H26F3N3O6S/c1-14(2)10-20(24(34)35)29-22(32)13-31-12-19(23(33)25(26,27)28)18-11-16(6-9-21(18)31)30-38(36,37)17-7-4-15(3)5-8-17/h4-9,11-12,14,20,30H,10,13H2,1-3H3,(H,29,32)(H,34,35)/t20-/s2
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202n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS2 receptor expressed in CHO-K1 cells by competitive binding assay


J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50069091
PNG
(CHEMBL3403507)
Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccc(F)cc1 |(2.94,7.42,;3.73,6.48,;5.25,6.75,;5.77,8.2,;7.28,8.47,;8.28,7.3,;7.76,5.85,;8.75,4.67,;9.97,4.89,;6.25,5.58,;5.62,4.17,;4.11,3.85,;3.97,2.33,;2.63,1.56,;2.63,.02,;3.7,-.59,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.3,-2.29,;.23,-2.91,;2.36,-2.91,;5.35,1.69,;6.38,2.84,;7.92,2.67,;8.91,3.84,;10.43,3.56,;10.94,2.11,;12.15,1.89,;9.94,.94,;8.43,1.22,)|
Show InChI InChI=1S/C25H26FN3O5/c1-33-19-7-6-8-20(34-2)22(19)18-15-21(28-29(18)17-11-9-16(26)10-12-17)27-23(30)25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,31,32)(H,27,28,30)
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271n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS2 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50041428
PNG
(CHEMBL3356855)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:24.27,(22.57,-23.73,;23.91,-24.49,;23.91,-26.03,;22.58,-26.8,;22.58,-28.35,;23.92,-29.12,;25.25,-28.35,;26.59,-29.11,;26.59,-30.65,;25.25,-26.8,;26.57,-26.02,;27.91,-26.79,;29.24,-26.02,;29.24,-24.48,;27.88,-23.72,;27.87,-22.19,;26.55,-21.44,;25.22,-22.22,;23.88,-21.46,;25.24,-23.72,;26.57,-24.49,;30.58,-26.78,;30.58,-28.32,;31.91,-26.01,;33.24,-26.77,;34.58,-26,;35.91,-26.77,;37.24,-26.01,;37.24,-24.46,;35.91,-23.69,;34.57,-24.47,;33.25,-28.32,;31.92,-29.09,;34.59,-29.08,)|
Show InChI InChI=1/C25H26ClN3O5/c1-33-18-9-6-10-19(34-2)20(18)22-16-13-15(26)11-12-17(16)27-23(28-22)24(30)29-21(25(31)32)14-7-4-3-5-8-14/h6,9-14,21H,3-5,7-8H2,1-2H3,(H,29,30)(H,31,32)/t21-/s2
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474n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019414
PNG
(CHEMBL3290098)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCCC1)C(O)=O
Show InChI InChI=1S/C27H25ClN4O4/c1-36-24-8-4-3-7-19(24)23-16-21(25(33)30-27(26(34)35)12-5-2-6-13-27)31-32(23)22-11-14-29-20-15-17(28)9-10-18(20)22/h3-4,7-11,14-16H,2,5-6,12-13H2,1H3,(H,30,33)(H,34,35)
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533n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019415
PNG
(CHEMBL3290099)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1cccc2ccccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:28.31,(20.61,-17.24,;21.24,-15.83,;22.77,-15.67,;23.67,-16.91,;25.21,-16.75,;25.83,-15.35,;24.93,-14.1,;25.55,-12.69,;27.08,-12.53,;23.4,-14.26,;22.22,-12.64,;22.69,-11.18,;21.45,-10.27,;20.2,-11.18,;20.68,-12.64,;19.5,-14.26,;20.13,-15.67,;19.22,-16.91,;17.69,-16.75,;17.06,-15.35,;15.53,-15.19,;14.91,-13.78,;15.81,-12.53,;17.34,-12.69,;17.97,-14.1,;21.45,-8.73,;22.78,-7.96,;20.11,-7.96,;20.11,-6.42,;18.78,-5.65,;17.45,-6.42,;16.11,-5.65,;16.11,-4.11,;17.45,-3.34,;18.78,-4.11,;21.45,-5.65,;22.78,-6.42,;21.45,-4.11,)|
Show InChI InChI=1S/C30H31N3O5/c1-37-25-16-9-17-26(38-2)27(25)24-18-22(29(34)31-28(30(35)36)20-11-4-3-5-12-20)32-33(24)23-15-8-13-19-10-6-7-14-21(19)23/h6-10,13-18,20,28H,3-5,11-12H2,1-2H3,(H,31,34)(H,35,36)/t28-/m0/s1
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536n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019406
PNG
(CHEMBL3290090)
Show SMILES COc1ccc(OC)c(c1)-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C29H29ClN4O5/c1-38-19-9-11-26(39-2)21(15-19)25-16-23(28(35)32-27(29(36)37)17-6-4-3-5-7-17)33-34(25)24-12-13-31-22-14-18(30)8-10-20(22)24/h8-17,27H,3-7H2,1-2H3,(H,32,35)(H,36,37)/t27-/m0/s1
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604n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019420
PNG
(CHEMBL3290104)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:25.28,(19.31,-17.83,;19.94,-16.43,;21.47,-16.26,;22.38,-17.51,;23.91,-17.35,;24.53,-15.94,;23.63,-14.7,;24.25,-13.29,;25.79,-13.13,;22.1,-14.86,;20.92,-13.24,;21.4,-11.77,;20.15,-10.87,;18.9,-11.77,;19.38,-13.24,;18.47,-14.48,;19.1,-15.89,;18.2,-17.14,;16.66,-16.98,;15.76,-18.22,;16.04,-15.57,;16.94,-14.32,;20.15,-9.33,;21.48,-8.56,;18.82,-8.56,;18.82,-7.02,;17.48,-6.25,;16.15,-7.02,;14.82,-6.25,;14.82,-4.71,;16.15,-3.94,;17.48,-4.71,;20.15,-6.25,;21.48,-7.02,;20.15,-4.71,)|
Show InChI InChI=1S/C26H28FN3O5/c1-34-21-9-6-10-22(35-2)23(21)20-15-19(29-30(20)18-13-11-17(27)12-14-18)25(31)28-24(26(32)33)16-7-4-3-5-8-16/h6,9-16,24H,3-5,7-8H2,1-2H3,(H,28,31)(H,32,33)/t24-/m0/s1
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622n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM82417
PNG
(CHEMBL461604 | SR 48527)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |wD:29.32,(4.51,5.44,;5.54,4.29,;5.06,2.83,;3.56,2.51,;3.08,1.04,;4.11,-.1,;5.62,.22,;6.65,-.93,;6.17,-2.39,;6.09,1.68,;7.6,2,;8.08,.54,;9.62,.54,;10.09,2,;8.85,2.91,;8.85,4.45,;7.51,5.22,;7.51,6.76,;8.85,7.53,;10.18,6.76,;11.56,7.58,;12.95,6.79,;14.28,7.57,;12.95,5.19,;11.56,4.39,;10.18,5.22,;10.52,-.71,;12.05,-.55,;9.89,-2.11,;10.8,-3.36,;10.17,-4.77,;8.64,-4.93,;8.01,-6.34,;8.92,-7.58,;10.45,-7.42,;11.08,-6.01,;12.33,-3.2,;13.24,-4.45,;12.96,-1.79,)|
Show InChI InChI=1S/C29H29ClN4O5/c1-38-24-9-6-10-25(39-2)26(24)23-16-21(28(35)32-27(29(36)37)17-7-4-3-5-8-17)33-34(23)22-13-14-31-20-15-18(30)11-12-19(20)22/h6,9-17,27H,3-5,7-8H2,1-2H3,(H,32,35)(H,36,37)/t27-/m0/s1
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644n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019418
PNG
(CHEMBL3290102)
Show SMILES COc1ccccc1-c1cc(nn1-c1cccc2ccccc12)C(=O)NC1(CCCCC1)C(O)=O
Show InChI InChI=1S/C28H27N3O4/c1-35-25-15-6-5-13-21(25)24-18-22(26(32)29-28(27(33)34)16-7-2-8-17-28)30-31(24)23-14-9-11-19-10-3-4-12-20(19)23/h3-6,9-15,18H,2,7-8,16-17H2,1H3,(H,29,32)(H,33,34)
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694n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50041427
PNG
(CHEMBL3356853)
Show SMILES COc1cccc(OC)c1-c1nc(nc2ccc(Cl)cc12)C(=O)NC1(CCCCC1)C(O)=O |(41.35,-22.47,;42.69,-23.24,;42.69,-24.79,;41.36,-25.56,;41.36,-27.11,;42.7,-27.88,;44.04,-27.1,;45.37,-27.87,;45.38,-29.42,;44.03,-25.55,;45.36,-24.78,;46.7,-25.55,;48.03,-24.77,;48.03,-23.23,;46.67,-22.47,;46.66,-20.94,;45.33,-20.18,;44.01,-20.96,;42.66,-20.21,;44.02,-22.47,;45.35,-23.24,;49.37,-25.54,;49.38,-27.08,;50.71,-24.76,;52.04,-25.53,;53.38,-26.3,;54.7,-25.53,;54.71,-23.99,;53.38,-23.22,;52.04,-23.99,;52.05,-27.08,;50.72,-27.85,;53.39,-27.84,)|
Show InChI InChI=1S/C24H24ClN3O5/c1-32-17-7-6-8-18(33-2)19(17)20-15-13-14(25)9-10-16(15)26-21(27-20)22(29)28-24(23(30)31)11-4-3-5-12-24/h6-10,13H,3-5,11-12H2,1-2H3,(H,28,29)(H,30,31)
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959n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125L]NT from rat neurotensin receptor type 2 expressed in CHOK1 cells by radioligand binding assay


Bioorg Med Chem Lett 25: 292-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.047
BindingDB Entry DOI: 10.7270/Q2M90B9G
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019409
PNG
(CHEMBL3290093)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc(-c2c(F)cccc2F)n(n1)-c1ccnc2cc(Cl)ccc12)C1CCCCC1 |r,wU:3.34,(22.59,-5.16,;22.75,-6.7,;24.15,-7.32,;21.5,-7.6,;21.66,-9.13,;23.07,-9.76,;24.32,-8.85,;23.23,-11.29,;24.56,-12.06,;24.24,-13.57,;25.58,-15.05,;25.11,-16.52,;23.6,-16.84,;26.14,-17.66,;27.64,-17.34,;28.12,-15.88,;27.09,-14.73,;27.57,-13.27,;22.71,-13.73,;22.09,-12.32,;21.94,-15.06,;22.71,-16.39,;21.94,-17.73,;20.4,-17.73,;19.63,-16.39,;18.09,-16.39,;17.32,-15.06,;15.78,-15.06,;18.09,-13.73,;19.63,-13.73,;20.4,-15.06,;20.09,-6.97,;18.85,-7.88,;17.44,-7.25,;17.28,-5.72,;18.53,-4.82,;19.93,-5.44,)|
Show InChI InChI=1S/C27H23ClF2N4O3/c28-16-9-10-17-20(13-16)31-12-11-22(17)34-23(24-18(29)7-4-8-19(24)30)14-21(33-34)26(35)32-25(27(36)37)15-5-2-1-3-6-15/h4,7-15,25H,1-3,5-6H2,(H,32,35)(H,36,37)/t25-/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019410
PNG
(CHEMBL3290094)
Show SMILES CCc1c(nn(c1-c1c(OC)cccc1OC)-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r,wU:31.35,(24.97,-8.62,;24.81,-10.16,;23.41,-10.78,;22.07,-10.01,;20.93,-11.04,;21.56,-12.45,;23.09,-12.29,;24.43,-13.78,;23.95,-15.24,;22.44,-15.56,;21.97,-17.03,;24.98,-16.39,;26.49,-16.06,;26.96,-14.6,;25.93,-13.46,;26.41,-11.99,;27.91,-11.67,;20.55,-14.18,;21.32,-15.52,;20.55,-16.85,;19.01,-16.85,;18.24,-15.52,;16.7,-15.52,;15.93,-14.18,;14.39,-14.18,;16.7,-12.85,;18.24,-12.85,;19.01,-14.18,;21.91,-8.48,;23.16,-7.58,;20.51,-7.85,;20.34,-6.32,;18.94,-5.7,;17.69,-6.6,;16.28,-5.97,;16.12,-4.44,;17.37,-3.54,;18.78,-4.16,;21.59,-5.42,;21.43,-3.89,;23,-6.04,)|
Show InChI InChI=1S/C31H33ClN4O5/c1-4-20-28(30(37)34-27(31(38)39)18-9-6-5-7-10-18)35-36(23-15-16-33-22-17-19(32)13-14-21(22)23)29(20)26-24(40-2)11-8-12-25(26)41-3/h8,11-18,27H,4-7,9-10H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1
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1.18E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50019417
PNG
(CHEMBL3290101)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1cccc2ccccc12)C(=O)NC1(CCCCC1)C(O)=O |(20.81,-16.86,;21.28,-15.39,;22.79,-15.07,;23.82,-16.21,;25.33,-15.89,;25.8,-14.43,;24.77,-13.29,;25.25,-11.82,;26.75,-11.5,;23.27,-13.61,;21.93,-12.12,;22.25,-10.61,;20.91,-9.84,;19.77,-10.87,;20.39,-12.28,;19.39,-14.01,;20.16,-15.35,;19.39,-16.68,;17.85,-16.68,;17.08,-15.35,;15.54,-15.35,;14.77,-14.01,;15.54,-12.68,;17.08,-12.68,;17.85,-14.01,;20.75,-8.31,;22,-7.41,;19.34,-7.68,;19.18,-6.15,;20.72,-6.26,;21.58,-4.98,;20.91,-3.6,;19.37,-3.49,;18.51,-4.77,;17.69,-6.59,;17.33,-8.07,;16.6,-5.5,)|
Show InChI InChI=1S/C29H29N3O5/c1-36-24-14-9-15-25(37-2)26(24)23-18-21(27(33)30-29(28(34)35)16-6-3-7-17-29)31-32(23)22-13-8-11-19-10-4-5-12-20(19)22/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,30,33)(H,34,35)
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1.21E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS1 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019408
PNG
(CHEMBL3290092)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C28H27ClN4O4/c1-37-25-10-6-5-9-20(25)24-16-22(27(34)31-26(28(35)36)17-7-3-2-4-8-17)32-33(24)23-13-14-30-21-15-18(29)11-12-19(21)23/h5-6,9-17,26H,2-4,7-8H2,1H3,(H,31,34)(H,35,36)/t26-/m0/s1
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1.42E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50023627
PNG
(CHEMBL3326832)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc12)C(O)=O |r|
Show InChI InChI=1/C23H27N3O5S/c1-15(2)12-20(23(28)29)24-22(27)14-26-11-10-17-13-18(6-9-21(17)26)25-32(30,31)19-7-4-16(3)5-8-19/h4-11,13,15,20,25H,12,14H2,1-3H3,(H,24,27)(H,28,29)/t20-/s2
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1.50E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]neurotensin from rat NTS2 receptor expressed in CHO-K1 cells by competitive binding assay


J Med Chem 57: 7472-7 (2014)


Article DOI: 10.1021/jm500857r
BindingDB Entry DOI: 10.7270/Q2BP04C6
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019407
PNG
(CHEMBL3290091)
Show SMILES COc1ccc(-c2cc(nn2-c2ccnc3cc(Cl)ccc23)C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(OC)c1 |r|
Show InChI InChI=1S/C29H29ClN4O5/c1-38-19-9-11-21(26(15-19)39-2)25-16-23(28(35)32-27(29(36)37)17-6-4-3-5-7-17)33-34(25)24-12-13-31-22-14-18(30)8-10-20(22)24/h8-17,27H,3-7H2,1-2H3,(H,32,35)(H,36,37)/t27-/m0/s1
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1.59E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50019416
PNG
(CHEMBL3290100)
Show SMILES COc1ccccc1-c1cc(nn1-c1cccc2ccccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O |r|
Show InChI InChI=1S/C29H29N3O4/c1-36-26-17-8-7-15-22(26)25-18-23(28(33)30-27(29(34)35)20-11-3-2-4-12-20)31-32(25)24-16-9-13-19-10-5-6-14-21(19)24/h5-10,13-18,20,27H,2-4,11-12H2,1H3,(H,30,33)(H,34,35)/t27-/m0/s1
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2.69E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting


J Med Chem 57: 5318-32 (2014)


Article DOI: 10.1021/jm5003843
BindingDB Entry DOI: 10.7270/Q2PR7XJD
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50019423
PNG
(CHEMBL3290105)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)NC1(CCCCC1)C(O)=O |(18.77,-17.38,;19.54,-16.04,;21.08,-16.04,;21.85,-17.38,;23.39,-17.38,;24.16,-16.04,;23.39,-14.71,;24.16,-13.38,;25.7,-13.38,;21.85,-14.71,;20.85,-12.98,;21.48,-11.57,;20.33,-10.54,;19,-11.31,;19.32,-12.81,;18.29,-13.96,;18.76,-15.42,;17.73,-16.57,;16.23,-16.25,;15.2,-17.39,;15.75,-14.78,;16.78,-13.64,;20.49,-9.01,;21.9,-8.38,;19.25,-8.1,;19.41,-6.57,;20.9,-7,;21.99,-5.92,;21.62,-4.43,;20.13,-4,;19.04,-5.09,;17.87,-6.68,;17.01,-5.4,;17.2,-8.06,)|
Show InChI InChI=1S/C25H26FN3O5/c1-33-20-7-6-8-21(34-2)22(20)19-15-18(28-29(19)17-11-9-16(26)10-12-17)23(30)27-25(24(31)32)13-4-3-5-14-25/h6-12,15H,3-5,13-14H2,1-2H3,(H,27,30)(H,31,32)
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3.21E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS1 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50069092
PNG
(CHEMBL3403508)
Show SMILES COc1ccccc1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccc(F)cc1
Show InChI InChI=1S/C24H24FN3O4/c1-32-20-8-4-3-7-18(20)19-15-21(27-28(19)17-11-9-16(25)10-12-17)26-22(29)24(23(30)31)13-5-2-6-14-24/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,30,31)(H,26,27,29)
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6.34E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS2 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50069089
PNG
(CHEMBL3403505)
Show SMILES COc1cccc(OC)c1-c1cc(NC(=O)C2(CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12 |(-5.51,-6.97,;-4.66,-6.08,;-5.09,-4.6,;-6.59,-4.24,;-7.02,-2.76,;-5.96,-1.65,;-4.47,-2.01,;-3.4,-.89,;-3.75,.29,;-4.03,-3.48,;-2.57,-3.96,;-2.09,-5.43,;-.55,-5.42,;.36,-6.66,;1.89,-6.5,;2.39,-5.37,;2.8,-7.74,;3.73,-8.94,;3.11,-10.35,;1.58,-10.52,;.67,-9.28,;1.29,-7.87,;4.33,-7.57,;5.06,-8.57,;4.83,-6.44,;-.08,-3.96,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,)|
Show InChI InChI=1S/C28H27ClN4O5/c1-37-22-7-6-8-23(38-2)25(22)21-16-24(31-26(34)28(27(35)36)12-4-3-5-13-28)32-33(21)20-11-14-30-19-15-17(29)9-10-18(19)20/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,35,36)(H,31,32,34)
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7.18E+3n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS1 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
Neurotensin receptor 2


(Rattus norvegicus)
BDBM50069088
PNG
(CHEMBL3403504)
Show SMILES COc1cccc(OC)c1-c1cc(CN[C@@H](C2CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12 |r,wU:15.16,(-5.51,-6.97,;-4.66,-6.08,;-5.09,-4.6,;-6.59,-4.24,;-7.02,-2.76,;-5.96,-1.65,;-4.47,-2.01,;-3.4,-.89,;-3.75,.29,;-4.03,-3.48,;-2.57,-3.96,;-2.09,-5.43,;-.55,-5.42,;.36,-6.66,;1.89,-6.5,;2.8,-7.74,;4.33,-7.57,;5.25,-8.81,;6.78,-8.64,;7.4,-7.23,;6.48,-5.99,;4.95,-6.16,;2.18,-9.15,;.96,-9.29,;2.91,-10.14,;-.08,-3.96,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,)|
Show InChI InChI=1/C29H31ClN4O4/c1-37-25-9-6-10-26(38-2)27(25)24-16-20(17-32-28(29(35)36)18-7-4-3-5-8-18)33-34(24)23-13-14-31-22-15-19(30)11-12-21(22)23/h6,9-16,18,28,32H,3-5,7-8,17H2,1-2H3,(H,35,36)/t28-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS2 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50069088
PNG
(CHEMBL3403504)
Show SMILES COc1cccc(OC)c1-c1cc(CN[C@@H](C2CCCCC2)C(O)=O)nn1-c1ccnc2cc(Cl)ccc12 |r,wU:15.16,(-5.51,-6.97,;-4.66,-6.08,;-5.09,-4.6,;-6.59,-4.24,;-7.02,-2.76,;-5.96,-1.65,;-4.47,-2.01,;-3.4,-.89,;-3.75,.29,;-4.03,-3.48,;-2.57,-3.96,;-2.09,-5.43,;-.55,-5.42,;.36,-6.66,;1.89,-6.5,;2.8,-7.74,;4.33,-7.57,;5.25,-8.81,;6.78,-8.64,;7.4,-7.23,;6.48,-5.99,;4.95,-6.16,;2.18,-9.15,;.96,-9.29,;2.91,-10.14,;-.08,-3.96,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,)|
Show InChI InChI=1/C29H31ClN4O4/c1-37-25-9-6-10-26(38-2)27(25)24-16-20(17-32-28(29(35)36)18-7-4-3-5-8-18)33-34(24)23-13-14-31-22-15-19(30)11-12-21(22)23/h6,9-16,18,28,32H,3-5,7-8,17H2,1-2H3,(H,35,36)/t28-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [I125]neurotensin from rat NTS1 overexpressed in CHO-k1 cells by competitive binding Assay


Bioorg Med Chem Lett 25: 2060-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.083
BindingDB Entry DOI: 10.7270/Q2BZ67RD
More data for this
Ligand-Target Pair
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