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Compile Data Set for Download or QSAR

Found 41 hits of ic50 data for polymerid = 49000803,50000676,50000677   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133193
PNG
(CHEMBL337721 | Neurotensin analogue)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCN1CCN=C1N)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33,c:48|
Show InChI InChI=1S/C40H66N12O8/c1-5-24(4)32(36(57)48-30(38(59)60)21-23(2)3)49-34(55)29(22-25-12-14-26(53)15-13-25)47-35(56)31-11-8-19-52(31)37(58)28(42)9-6-16-45-39(43)50-33(54)27(41)10-7-18-51-20-17-46-40(51)44/h12-15,23-24,27-32,53H,5-11,16-22,41-42H2,1-4H3,(H2,44,46)(H,47,56)(H,48,57)(H,49,55)(H,59,60)(H3,43,45,50,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124132
PNG
(CHEMBL3622802)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-6-24(2)32(36(51)44-30(38(53)54)23-55(3,4)5)45-34(49)29(22-25-15-17-26(47)18-16-25)43-35(50)31-14-11-21-46(31)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,24,27-32,47H,6-14,19-23,39-41H2,1-5H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133188
PNG
(CHEMBL336836 | Compound KK17)
Show SMILES CCNC(N)=NCCC[C@H](N)C(=O)NC(N)=NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |w:16.16,5.5|
Show InChI InChI=1S/C40H68N12O8/c1-6-24(5)32(36(57)49-30(38(59)60)21-23(3)4)50-34(55)29(22-25-14-16-26(53)17-15-25)48-35(56)31-13-10-20-52(31)37(58)28(42)12-9-19-47-40(44)51-33(54)27(41)11-8-18-46-39(43)45-7-2/h14-17,23-24,27-32,53H,6-13,18-22,41-42H2,1-5H3,(H,48,56)(H,49,57)(H,50,55)(H,59,60)(H3,43,45,46)(H3,44,47,51,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50342242
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N8O8/c1-5-24(4)32(36(51)44-30(38(53)54)21-23(2)3)45-34(49)29(22-25-14-16-26(47)17-15-25)43-35(50)31-13-10-20-46(31)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,23-24,27-32,47H,5-13,18-22,39-41H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133198
PNG
(CHEMBL434227 | Compound KK16)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCN=C(N)NC)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33,43.44|
Show InChI InChI=1S/C39H66N12O8/c1-6-23(4)31(35(56)48-29(37(58)59)20-22(2)3)49-33(54)28(21-24-13-15-25(52)16-14-24)47-34(55)30-12-9-19-51(30)36(57)27(41)11-8-18-46-39(43)50-32(53)26(40)10-7-17-45-38(42)44-5/h13-16,22-23,26-31,52H,6-12,17-21,40-41H2,1-5H3,(H,47,55)(H,48,56)(H,49,54)(H,58,59)(H3,42,44,45)(H3,43,46,50,53)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 0.670n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133206
PNG
(CHEMBL337644 | Compound KK1)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C39H66N10O8/c1-5-24(4)32(36(54)46-30(38(56)57)21-23(2)3)47-34(52)29(22-25-14-16-26(50)17-15-25)45-35(53)31-13-10-20-49(31)37(55)28(42)12-9-19-44-39(43)48-33(51)27(41)11-7-6-8-18-40/h14-17,23-24,27-32,50H,5-13,18-22,40-42H2,1-4H3,(H,45,53)(H,46,54)(H,47,52)(H,56,57)(H3,43,44,48,51)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133201
PNG
(CHEMBL132524 | Compound KK18)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCNC1NCCN1)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C40H68N12O8/c1-5-24(4)32(36(57)49-30(38(59)60)21-23(2)3)50-34(55)29(22-25-12-14-26(53)15-13-25)48-35(56)31-11-8-20-52(31)37(58)28(42)10-7-16-44-39(43)51-33(54)27(41)9-6-17-45-40-46-18-19-47-40/h12-15,23-24,27-32,40,45-47,53H,5-11,16-22,41-42H2,1-4H3,(H,48,56)(H,49,57)(H,50,55)(H,59,60)(H3,43,44,51,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.780n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133204
PNG
(CHEMBL132409 | Compound KK15)
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](-[#7])-[#6]-[#6]-[#6]-[#7]=[#6](-[#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 |w:32.33|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)47-28(36(57)58)19-21(2)3)48-32(53)27(20-23-12-14-24(51)15-13-23)46-33(54)29-11-8-18-50(29)35(56)26(40)10-7-17-45-38(43)49-31(52)25(39)9-6-16-44-37(41)42/h12-15,21-22,25-30,51H,5-11,16-20,39-40H2,1-4H3,(H,46,54)(H,47,55)(H,48,53)(H,57,58)(H4,41,42,44)(H3,43,45,49,52)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50342242
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N8O8/c1-5-24(4)32(36(51)44-30(38(53)54)21-23(2)3)45-34(49)29(22-25-14-16-26(47)17-15-25)43-35(50)31-13-10-20-46(31)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,23-24,27-32,47H,5-13,18-22,39-41H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.950n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS2 receptor


J Med Chem 60: 3303-3313 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01848
BindingDB Entry DOI: 10.7270/Q2377C6V
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
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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Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133196
PNG
(CHEMBL337260 | Compound KK6)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCNC)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C39H66N10O8/c1-6-24(4)32(36(54)46-30(38(56)57)21-23(2)3)47-34(52)29(22-25-14-16-26(50)17-15-25)45-35(53)31-13-10-20-49(31)37(55)28(41)12-9-19-44-39(42)48-33(51)27(40)11-7-8-18-43-5/h14-17,23-24,27-32,43,50H,6-13,18-22,40-41H2,1-5H3,(H,45,53)(H,46,54)(H,47,52)(H,56,57)(H3,42,44,48,51)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133190
PNG
(CHEMBL430910 | Compound KK5)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C38H64N10O8/c1-5-23(4)31(35(53)45-29(37(55)56)20-22(2)3)46-33(51)28(21-24-13-15-25(49)16-14-24)44-34(52)30-12-9-19-48(30)36(54)27(41)11-8-18-43-38(42)47-32(50)26(40)10-6-7-17-39/h13-16,22-23,26-31,49H,5-12,17-21,39-41H2,1-4H3,(H,44,52)(H,45,53)(H,46,51)(H,55,56)(H3,42,43,47,50)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
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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n/an/a 2.70n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133191
PNG
(CHEMBL132507 | Compound KK7)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C40H68N10O8/c1-7-25(4)33(37(55)46-31(39(57)58)22-24(2)3)47-35(53)30(23-26-15-17-27(51)18-16-26)45-36(54)32-14-11-21-50(32)38(56)29(42)13-10-19-44-40(43)48-34(52)28(41)12-8-9-20-49(5)6/h15-18,24-25,28-33,51H,7-14,19-23,41-42H2,1-6H3,(H,45,54)(H,46,55)(H,47,53)(H,57,58)(H3,43,44,48,52)/t25-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133199
PNG
(CHEMBL339139 | Compound KK9)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCN)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C37H62N10O8/c1-5-22(4)30(34(52)44-28(36(54)55)19-21(2)3)45-32(50)27(20-23-12-14-24(48)15-13-23)43-33(51)29-11-8-18-47(29)35(53)26(40)10-7-17-42-37(41)46-31(49)25(39)9-6-16-38/h12-15,21-22,25-30,48H,5-11,16-20,38-40H2,1-4H3,(H,43,51)(H,44,52)(H,45,50)(H,54,55)(H3,41,42,46,49)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133202
PNG
(CHEMBL132794 | Compound KK4)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C42H72N10O8/c1-8-27(4)35(39(57)48-33(41(59)60)24-26(2)3)49-37(55)32(25-28-17-19-29(53)20-18-28)47-38(56)34-16-13-22-51(34)40(58)31(44)15-12-21-46-42(45)50-36(54)30(43)14-10-9-11-23-52(5,6)7/h17-20,26-27,30-35H,8-16,21-25,43-44H2,1-7H3,(H7-,45,46,47,48,49,50,53,54,55,56,57,59,60)/p+1/t27-,30-,31-,32-,33-,34-,35-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133205
PNG
(CHEMBL133798 | Compound KK8)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C41H70N10O8/c1-8-26(4)34(38(56)47-32(40(58)59)23-25(2)3)48-36(54)31(24-27-16-18-28(52)19-17-27)46-37(55)33-15-12-21-50(33)39(57)30(43)14-11-20-45-41(44)49-35(53)29(42)13-9-10-22-51(5,6)7/h16-19,25-26,29-34H,8-15,20-24,42-43H2,1-7H3,(H7-,44,45,46,47,48,49,52,53,54,55,56,58,59)/p+1/t26-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133195
PNG
(CHEMBL133340 | Compound KK10)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCNC)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C38H64N10O8/c1-6-23(4)31(35(53)45-29(37(55)56)20-22(2)3)46-33(51)28(21-24-13-15-25(49)16-14-24)44-34(52)30-12-9-19-48(30)36(54)27(40)11-8-18-43-38(41)47-32(50)26(39)10-7-17-42-5/h13-16,22-23,26-31,42,49H,6-12,17-21,39-40H2,1-5H3,(H,44,52)(H,45,53)(H,46,51)(H,55,56)(H3,41,43,47,50)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133187
PNG
(CHEMBL133850 | Compound KK3)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C41H70N10O8/c1-7-26(4)34(38(56)47-32(40(58)59)23-25(2)3)48-36(54)31(24-27-16-18-28(52)19-17-27)46-37(55)33-15-12-22-51(33)39(57)30(43)14-11-20-45-41(44)49-35(53)29(42)13-9-8-10-21-50(5)6/h16-19,25-26,29-34,52H,7-15,20-24,42-43H2,1-6H3,(H,46,55)(H,47,56)(H,48,54)(H,58,59)(H3,44,45,49,53)/t26-,29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133192
PNG
(CHEMBL439494 | Compound NT)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
Show InChI InChI=1S/C69H108N20O18/c1-5-38(4)56(67(106)107)87-62(101)49(34-40-19-23-42(91)24-20-40)86-64(103)52-16-11-31-89(52)66(105)46(14-9-29-78-69(75)76)82-59(98)44(13-8-28-77-68(73)74)81-63(102)51-15-10-30-88(51)65(104)45(12-6-7-27-70)83-61(100)50(35-53(72)92)80-54(93)36-79-58(97)48(33-39-17-21-41(90)22-18-39)85-60(99)47(32-37(2)3)84-57(96)43(71)25-26-55(94)95/h17-24,37-38,43-52,56,90-91H,5-16,25-36,70-71H2,1-4H3,(H2,72,92)(H,79,97)(H,80,93)(H,81,102)(H,82,98)(H,83,100)(H,84,96)(H,85,99)(H,86,103)(H,87,101)(H,94,95)(H,106,107)(H4,73,74,77)(H4,75,76,78)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124143
PNG
(CHEMBL3622806)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N8O8Si/c1-7-25(4)33(37(52)45-31(39(54)55)20-24(2)3)46-35(50)30(21-26-14-16-27(48)17-15-26)44-36(51)32-22-56(5,6)23-47(32)38(53)29(13-9-11-19-41)43-34(49)28(42)12-8-10-18-40/h14-17,24-25,28-33,48H,7-13,18-23,40-42H2,1-6H3,(H,43,49)(H,44,51)(H,45,52)(H,46,50)(H,54,55)/t25-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133207
PNG
(CHEMBL133378 | Compound KK11)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCN(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C39H66N10O8/c1-7-24(4)32(36(54)45-30(38(56)57)21-23(2)3)46-34(52)29(22-25-14-16-26(50)17-15-25)44-35(53)31-13-10-20-49(31)37(55)28(41)11-8-18-43-39(42)47-33(51)27(40)12-9-19-48(5)6/h14-17,23-24,27-32,50H,7-13,18-22,40-41H2,1-6H3,(H,44,53)(H,45,54)(H,46,52)(H,56,57)(H3,42,43,47,51)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 5.10n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133200
PNG
(CHEMBL129953 | Compound KK12)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCC[N+](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C40H68N10O8/c1-8-25(4)33(37(55)46-31(39(57)58)22-24(2)3)47-35(53)30(23-26-15-17-27(51)18-16-26)45-36(54)32-14-10-20-49(32)38(56)29(42)12-9-19-44-40(43)48-34(52)28(41)13-11-21-50(5,6)7/h15-18,24-25,28-33H,8-14,19-23,41-42H2,1-7H3,(H7-,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t25-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 5.30n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 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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n/an/a 5.40n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR assay


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 type 2


(Homo sapiens (Human))
BDBM50133194
PNG
(CHEMBL133849 | Compound KK2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCNC)C(=O)N[C@@H](CC(C)C)C(O)=O |w:32.33|
Show InChI InChI=1S/C40H68N10O8/c1-6-25(4)33(37(55)47-31(39(57)58)22-24(2)3)48-35(53)30(23-26-15-17-27(51)18-16-26)46-36(54)32-14-11-21-50(32)38(56)29(42)13-10-20-45-40(43)49-34(52)28(41)12-8-7-9-19-44-5/h15-18,24-25,28-33,44,51H,6-14,19-23,41-42H2,1-5H3,(H,46,54)(H,47,55)(H,48,53)(H,57,58)(H3,43,45,49,52)/t25-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 6.90n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=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-/m0/s1
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n/an/a 7.5n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133197
PNG
(CHEMBL335846 | Compound KK13)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(O)=O |w:36.37|
Show InChI InChI=1S/C39H66N10O8/c1-23(2)21-29(37(56)57)46-35(54)31(39(3,4)5)47-33(52)28(22-24-14-16-25(50)17-15-24)45-34(53)30-13-10-20-49(30)36(55)27(42)12-9-19-44-38(43)48-32(51)26(41)11-7-6-8-18-40/h14-17,23,26-31,50H,6-13,18-22,40-42H2,1-5H3,(H,45,53)(H,46,54)(H,47,52)(H,56,57)(H3,43,44,48,51)/t26-,27-,28-,29-,30-,31+/m0/s1
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n/an/a 11.1n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 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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n/an/a 19n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR assay


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 type 2


(Homo sapiens (Human))
BDBM50124143
PNG
(CHEMBL3622806)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N8O8Si/c1-7-25(4)33(37(52)45-31(39(54)55)20-24(2)3)46-35(50)30(21-26-14-16-27(48)17-15-26)44-36(51)32-22-56(5,6)23-47(32)38(53)29(13-9-11-19-41)43-34(49)28(42)12-8-10-18-40/h14-17,24-25,28-33,48H,7-13,18-23,40-42H2,1-6H3,(H,43,49)(H,44,51)(H,45,52)(H,46,50)(H,54,55)/t25-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124135
PNG
(CHEMBL3622803)
Show SMILES C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H68N8O8Si2/c1-55(2,3)23-30(35(50)45-31(38(53)54)24-56(4,5)6)44-34(49)29(22-25-15-17-26(47)18-16-25)43-36(51)32-14-11-21-46(32)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,27-32,47H,7-14,19-24,39-41H2,1-6H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124141
PNG
(CHEMBL3622805)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N10O8Si/c1-24(2)21-30(38(56)57)47-35(53)31(23-58(4,5)6)48-34(52)29(22-25-14-16-26(50)17-15-25)46-36(54)32-13-10-20-49(32)37(55)28(11-7-8-18-40)45-33(51)27(43-3)12-9-19-44-39(41)42/h14-17,24,27-32,43,50H,7-13,18-23,40H2,1-6H3,(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)(H4,41,42,44)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 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=1S/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-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat NTS2 receptor expressed in CHO-K1 cells assessed as inhibition of SR142948a-induced calcium mobilization by FLIPR 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 type 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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n/an/a 42n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat neurotensin receptor type 2 expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR ...


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 type 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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n/an/a 114n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat NTS2 receptor expressed in CHO-K1 cells assessed as inhibition of SR142948a-induced calcium mobilization by FLIPR 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 type 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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n/an/a 140n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR assay


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 type 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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n/an/a 153n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR assay


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 type 2


(Homo sapiens (Human))
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 405n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50133189
PNG
(CHEMBL435199 | Compound KK14)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@@H](N)CCCCCN)C(C)(C)C)C(O)=O |w:38.40|
Show InChI InChI=1S/C41H67N11O7/c1-24(2)21-31(39(58)59)49-37(56)33(41(3,4)5)50-35(54)30(22-25-23-47-29-16-9-8-13-26(25)29)48-36(55)32-17-12-20-52(32)38(57)28(44)15-11-19-46-40(45)51-34(53)27(43)14-7-6-10-18-42/h8-9,13,16,23-24,27-28,30-33,47H,6-7,10-12,14-15,17-22,42-44H2,1-5H3,(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H3,45,46,51,53)/t27-,28-,30-,31-,32-,33+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Evaluated for binding affinity by inhibiting binding of [125I]Tyr(3)-NT to human Neurotensin receptor 2


J Med Chem 46: 4141-8 (2003)


Article DOI: 10.1021/jm0300633
BindingDB Entry DOI: 10.7270/Q26M37KB
More data for this
Ligand-Target Pair
Neurotensin receptor type 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=1S/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-/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat neurotensin receptor type 2 expressed in CHOK1 cells assessed as inhibition of SR142948a-induced calcium release by FLIPR ...


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 type 2


(Homo sapiens (Human))
BDBM50124138
PNG
(CHEMBL3622804)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCCN)C(O)=O |r|
Show InChI InChI=1S/C40H72N8O8Si2/c1-26(2)21-32(40(55)56)46-37(52)33(23-57(3,4)5)47-36(51)31(22-27-15-17-28(49)18-16-27)45-38(53)34-24-58(6,7)25-48(34)39(54)30(14-10-12-20-42)44-35(50)29(43)13-9-8-11-19-41/h15-18,26,29-34,49H,8-14,19-25,41-43H2,1-7H3,(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 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=1S/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-/m0/s1
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n/an/a 3.32E+3n/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat NTS2 receptor expressed in CHO-K1 cells assessed as inhibition of SR142948a-induced calcium mobilization by FLIPR 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