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Compile Data Set for Download or QSAR

Found 1787 hits Enz. Inhib. hit(s) with Target = 'Neurotensin receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50240845
PNG
((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
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/an/an/a 0.0100n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat NTS1 stably expressed in CHOK1 cells assessed as induction of 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 1


(Rattus norvegicus)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=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/an/an/a 0.0400n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at rat NTS1 stably expressed in CHOK1 cells assessed as induction of 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
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 0.0692n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human neurotensin receptor 1 expressed in CHO cells assessed as increase in intracellular calcium by Fluo-4 dye based fluorescenc...


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=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/an/an/a 0.230n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 (unknown origin) expressed in CHOK1 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 1438-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.024
BindingDB Entry DOI: 10.7270/Q2S46RVQ
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 0.340n/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing hNTS1-GFP10/RlucII-beta-arrestin 2 assessed as beta-arrestin2 recruitm...


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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50509513
PNG
(CHEMBL4537266)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1
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n/an/an/an/a 0.372n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human neurotensin receptor 1 expressed in CHO cells assessed as increase in intracellular calcium by Fluo-4 dye based fluorescenc...


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 0.400n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at Galpha13-Rluc2/Gbeta1/GFP10-Ggamma1 fused human NTS1 expressed in CHO-K1 cell membranes assessed as Galpha13 activation after 5 m...


J Med Chem 61: 7103-7115 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00175
BindingDB Entry DOI: 10.7270/Q2D50QMT
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50509511
PNG
(CHEMBL4457798)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1
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n/an/an/an/a 0.417n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human neurotensin receptor 1 expressed in CHO cells assessed as increase in intracellular calcium by Fluo-4 dye based fluorescenc...


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 0.600n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at GFP10/beta-arrestin2-Rluc2 fused human NTS1 expressed in CHO-K1 cell membranes assessed as beta-arrestin2 recruitment after 20 mi...


J Med Chem 61: 7103-7115 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00175
BindingDB Entry DOI: 10.7270/Q2D50QMT
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 0.600n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at GFP10/beta-arrestin1-Rluc2 fused human NTS1 expressed in CHO-K1 cell membranes assessed as beta-arrestin1 recruitment after 20 mi...


J Med Chem 61: 7103-7115 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00175
BindingDB Entry DOI: 10.7270/Q2D50QMT
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 0.600n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at Galphaq-Rluc2/Gbeta1/GFP10-Ggamma1 fused human NTS1 expressed in CHO-K1 cell membranes assessed as Galphaq activation after 5 min...


J Med Chem 61: 7103-7115 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00175
BindingDB Entry DOI: 10.7270/Q2D50QMT
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50257186
PNG
((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-azido...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H62N14O8/c1-5-22(4)30(34(57)48-28(36(59)60)19-21(2)3)49-32(55)27(20-23-12-14-24(53)15-13-23)47-33(56)29-11-8-18-52(29)35(58)26(10-7-17-45-38(41)42)46-31(54)25(50-51-43)9-6-16-44-37(39)40/h12-15,21-22,25-30,53H,5-11,16-20H2,1-4H3,(H,46,54)(H,47,56)(H,48,57)(H,49,55)(H,59,60)(H4,39,40,44)(H4,41,42,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
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n/an/an/an/a 0.780n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50257185
PNG
((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-5-guanidino-2-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-6-23(4)31(35(56)49-29(37(58)59)20-22(2)3)50-33(54)28(21-24-13-15-25(52)16-14-24)48-34(55)30-12-9-19-51(30)36(57)27(11-8-18-46-39(42)43)47-32(53)26(44-5)10-7-17-45-38(40)41/h13-16,22-23,26-31,44,52H,6-12,17-21H2,1-5H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H4,40,41,45)(H4,42,43,46)/t23-,26+,27+,28+,29+,30+,31+/m1/s1
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n/an/an/an/a 0.853n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50509510
PNG
(CHEMBL4564746)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.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)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C75H110N16O10.3C2HF3O2/c1-10-49(4)64(68(97)86-57(70(99)100)46-48(2)3)87-66(95)56(47-50-36-38-51(92)39-37-50)85-67(96)60-32-25-45-91(60)69(98)55(29-24-42-81-71(77)78)84-65(94)54(76)28-23-43-82-72(79)88-73(101)83-41-21-20-40-80-63(93)35-15-12-22-44-90-59-31-19-17-27-53(59)75(7,8)62(90)34-14-11-13-33-61-74(5,6)52-26-16-18-30-58(52)89(61)9;3*3-2(4,5)1(6)7/h11,13-14,16-19,26-27,30-31,33-34,36-39,48-49,54-57,60,64H,10,12,15,20-25,28-29,32,35,40-47,76H2,1-9H3,(H14-,77,78,79,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,99,100,101);3*(H,6,7)/t49-,54-,55-,56-,57-,60-,64-;;;/m0.../s1
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n/an/an/an/a 1n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human neurotensin receptor 1 in HT-29 cells assessed as intracellular calcium mobilization by Fura-2 dye based spectrofluorimetry...


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50240845
PNG
((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
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/an/an/a 1n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM297513
PNG
(2-({2-(1-Fluoro-cyclopropyl)-4-[4- (2-methoxy-phen...)
Show SMILES COc1ccccc1C1CCN(CC1)c1nc(nc2ccc(cc12)N(C)CCO)C1(F)CC1
Show InChI InChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3
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n/an/an/an/a 1.20n/an/an/an/a



Sanford Burnham Prebys Medical Discovery Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human GFP-fused PK-tagged Gq-coupled NTR1 expressed in CHOK1 cells assessed as effect on NT (8 to 13) peptide-media...


J Med Chem 62: 8357-8363 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00340
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 1.20n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human neurotensin receptor 1 in HT-29 cells assessed as intracellular calcium mobilization by Fura-2 dye based spectrofluorimetry...


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 1.30n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at NTSR1 in human HT-29 cells assessed as induction of intracellular Ca2+ mobilization by fura-2 dye-based spectrofluorimetric analy...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
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
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/an/an/a 1.30n/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 in Sprague-Dawley rat ileum assessed as inhibition of carbachol-induced contraction


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
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 1.40n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at NTSR1 in human HT-29 cells assessed as induction of intracellular Ca2+ mobilization by fura-2 dye-based spectrofluorimetric analy...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
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
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/an/an/a 1.40n/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 in Sprague-Dawley rat ileum assessed as inhibition of carbachol-induced contraction


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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50276349
PNG
(CHEMBL450740 | Polyamine-NT)
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](CCCCN)NC(=O)[C@H](CCCCNCCCNCCCNCCCCNCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C59H108N14O10/c1-6-42(4)52(57(80)71-50(59(82)83)39-41(2)3)72-55(78)49(40-44-23-25-45(75)26-24-44)70-56(79)51-22-15-38-73(51)58(81)48(21-8-11-28-61)69-54(77)47(19-7-10-27-60)68-53(76)46(67-43(5)74)20-9-12-30-64-34-17-36-66-37-18-35-65-32-14-13-31-63-33-16-29-62/h23-26,41-42,46-52,63-66,75H,6-22,27-40,60-62H2,1-5H3,(H,67,74)(H,68,76)(H,69,77)(H,70,79)(H,71,80)(H,72,78)(H,82,83)/t42-,46-,47-,48-,49-,50-,51-,52-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant NTS1 receptor expressed in HEK293 cells assessed as stimulation of Ca2+ mobilization


J Med Chem 52: 1514-7 (2009)


Article DOI: 10.1021/jm801481y
BindingDB Entry DOI: 10.7270/Q2M908JS
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 1.40n/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing Galphaq-RlucII(121)/Gbeta1/GFP10-Ggamma1 assessed as Galpha-q stimulat...


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
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 1.5n/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing hNTS1-GFP10/RlucII-beta-arrestin 2 assessed as beta-arrestin2 recruitm...


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
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 1.5n/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing Galphaq-RlucII(121)/Gbeta1/GFP10-Ggamma1 assessed as Galpha-q stimulat...


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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50159155
PNG
(CHEMBL3786852)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)CCCN\C(N)=N\C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C43H74N14O9.4C2HF3O2/c1-5-26(4)34(38(62)54-32(40(64)65)23-25(2)3)55-36(60)31(24-27-14-16-28(58)17-15-27)53-37(61)33-13-10-22-57(33)39(63)30(12-9-20-49-41(46)47)52-35(59)29(45)11-8-21-50-42(48)56-43(66)51-19-7-6-18-44;4*3-2(4,5)1(6)7/h14-17,25-26,29-34,58H,5-13,18-24,44-45H2,1-4H3,(H,52,59)(H,53,61)(H,54,62)(H,55,60)(H,64,65)(H4,46,47,49)(H4,48,50,51,56,66);4*(H,6,7)/t26-,29-,30-,31-,32-,33-,34-;;;;/m0..../s1
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n/an/an/an/a 1.5n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at NTSR1 in human HT-29 cells assessed as induction of intracellular Ca2+ mobilization by fura-2 dye-based spectrofluorimetric analy...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=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/an/an/a 1.60n/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in HEK293 cells assessed as inhibition of constitutive activity on MAPK-mediated luciferase activit...


J Med Chem 54: 2915-23 (2011)


Article DOI: 10.1021/jm200006c
BindingDB Entry DOI: 10.7270/Q2XK8FVG
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50159155
PNG
(CHEMBL3786852)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)CCCN\C(N)=N\C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C43H74N14O9.4C2HF3O2/c1-5-26(4)34(38(62)54-32(40(64)65)23-25(2)3)55-36(60)31(24-27-14-16-28(58)17-15-27)53-37(61)33-13-10-22-57(33)39(63)30(12-9-20-49-41(46)47)52-35(59)29(45)11-8-21-50-42(48)56-43(66)51-19-7-6-18-44;4*3-2(4,5)1(6)7/h14-17,25-26,29-34,58H,5-13,18-24,44-45H2,1-4H3,(H,52,59)(H,53,61)(H,54,62)(H,55,60)(H,64,65)(H4,46,47,49)(H4,48,50,51,56,66);4*(H,6,7)/t26-,29-,30-,31-,32-,33-,34-;;;;/m0..../s1
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n/an/an/an/a 1.70n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at NTSR1 in human HT-29 cells assessed as induction of intracellular Ca2+ mobilization by fura-2 dye-based spectrofluorimetric analy...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50257188
PNG
((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-5-guanidino-2-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H63N11O8/c1-5-23(4)31(34(54)47-28(36(56)57)20-22(2)3)48-32(52)27(21-24-13-15-25(50)16-14-24)46-33(53)29-11-9-19-49(29)35(55)26(10-8-18-44-38(41)42)45-30(51)12-6-7-17-43-37(39)40/h13-16,22-23,26-29,31,50H,5-12,17-21H2,1-4H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)(H4,39,40,43)(H4,41,42,44)/t23-,26+,27+,28+,29+,31+/m1/s1
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n/an/an/an/a 1.85n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50240844
PNG
((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-aceta...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C40H66N12O9/c1-6-23(4)32(36(58)50-30(38(60)61)20-22(2)3)51-34(56)29(21-25-13-15-26(54)16-14-25)49-35(57)31-12-9-19-52(31)37(59)28(11-8-18-46-40(43)44)48-33(55)27(47-24(5)53)10-7-17-45-39(41)42/h13-16,22-23,27-32,54H,6-12,17-21H2,1-5H3,(H,47,53)(H,48,55)(H,49,57)(H,50,58)(H,51,56)(H,60,61)(H4,41,42,45)(H4,43,44,46)/t23-,27+,28+,29+,30+,31+,32+/m1/s1
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n/an/an/an/a 1.89n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 1.90n/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing hNTS1-GFP10/RlucII-beta-arrestin 2 assessed as beta-arrestin2 recruitm...


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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=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/an/an/a 1.98n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50159156
PNG
(CHEMBL3786291)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)CCCN\C(N)=N\C(=O)NCCCCNC(=O)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H78N14O10.3C2HF3O2/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2;3*3-2(4,5)1(6)7/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70);3*(H,6,7)/t28-,31-,32-,33-,34-,35-,37-;;;/m0.../s1
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n/an/an/an/a 2n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at NTSR1 in human HT-29 cells assessed as induction of intracellular Ca2+ mobilization by fura-2 dye-based spectrofluorimetric analy...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=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/an/an/a 2n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at human NTR1 assessed as increase in intracellular calcium concentration


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=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/an/an/a 2n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in mouse N1E-115 cells assessed as increase in intracellular calcium concentration


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50159156
PNG
(CHEMBL3786291)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)CCCN\C(N)=N\C(=O)NCCCCNC(=O)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H78N14O10.3C2HF3O2/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2;3*3-2(4,5)1(6)7/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70);3*(H,6,7)/t28-,31-,32-,33-,34-,35-,37-;;;/m0.../s1
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n/an/an/an/a 2n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at NTSR1 in human HT-29 cells assessed as induction of intracellular Ca2+ mobilization by fura-2 dye-based spectrofluorimetric analy...


J Med Chem 59: 1925-45 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01495
BindingDB Entry DOI: 10.7270/Q2V69MGK
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50458820
PNG
(CHEMBL4216311)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)c2)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C41H66N8O8/c1-5-26(4)35(39(54)47-32(41(56)57)22-25(2)3)48-37(52)31-24-27-16-17-34(50)28(23-27)12-7-9-19-44-20-10-13-29(43)36(51)45-30(14-6-8-18-42)40(55)49-21-11-15-33(49)38(53)46-31/h7,9,16-17,23,25-26,29-33,35,44,50H,5-6,8,10-15,18-22,24,42-43H2,1-4H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)/t26-,29+,30-,31+,32-,33-,35-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at Galphaq-Rluc2/Gbeta1/GFP10-Ggamma1 fused human NTS1 expressed in CHO-K1 cell membranes assessed as Galphaq activation after 5 min...


J Med Chem 61: 7103-7115 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00175
BindingDB Entry DOI: 10.7270/Q2D50QMT
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50458820
PNG
(CHEMBL4216311)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)c2)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C41H66N8O8/c1-5-26(4)35(39(54)47-32(41(56)57)22-25(2)3)48-37(52)31-24-27-16-17-34(50)28(23-27)12-7-9-19-44-20-10-13-29(43)36(51)45-30(14-6-8-18-42)40(55)49-21-11-15-33(49)38(53)46-31/h7,9,16-17,23,25-26,29-33,35,44,50H,5-6,8,10-15,18-22,24,42-43H2,1-4H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)/t26-,29+,30-,31+,32-,33-,35-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at GFP10/beta-arrestin2-Rluc2 fused human NTS1 expressed in CHO-K1 cell membranes assessed as beta-arrestin2 recruitment after 20 mi...


J Med Chem 61: 7103-7115 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00175
BindingDB Entry DOI: 10.7270/Q2D50QMT
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50458820
PNG
(CHEMBL4216311)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H]1Cc2ccc(O)c(CC=CCNCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N1)c2)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C41H66N8O8/c1-5-26(4)35(39(54)47-32(41(56)57)22-25(2)3)48-37(52)31-24-27-16-17-34(50)28(23-27)12-7-9-19-44-20-10-13-29(43)36(51)45-30(14-6-8-18-42)40(55)49-21-11-15-33(49)38(53)46-31/h7,9,16-17,23,25-26,29-33,35,44,50H,5-6,8,10-15,18-22,24,42-43H2,1-4H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)/t26-,29+,30-,31+,32-,33-,35-/m0/s1
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n/an/an/an/a 4n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at GFP10/beta-arrestin1-Rluc2 fused human NTS1 expressed in CHO-K1 cell membranes assessed as beta-arrestin1 recruitment after 20 mi...


J Med Chem 61: 7103-7115 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00175
BindingDB Entry DOI: 10.7270/Q2D50QMT
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 4.20n/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Agonist activity at human NTS1 receptor expressed in CHOK1 cells co-expressing hNTS1-GFP10/RlucII-beta-arrestin 2 assessed as beta-arrestin2 recruitm...


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
Dopamine receptor D2L/neurotensin receptor NTS1


(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
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/an/an/a 4.20n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at NTSR1 (unknown origin) expressed in CHO cells assessed as potentiation of NT(8-13) peptide-induced change in intracellular Ca2+ l...


Bioorg Med Chem Lett 24: 3974-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.033
BindingDB Entry DOI: 10.7270/Q2ZP47RG
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50509511
PNG
(CHEMBL4457798)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1
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n/an/an/an/a 5.90n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human neurotensin receptor 1 in HT-29 cells assessed as intracellular calcium mobilization by Fura-2 dye based spectrofluorimetry...


ACS Med Chem Lett 11: 16-22 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00462
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50257189
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-3,7-diamino...)
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](CCCN=C(N)N)NC(=O)C[C@@H](N)CCCCN)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C39H66N10O8/c1-23(2)20-29(37(56)57)47-35(54)32(39(3,4)5)48-33(52)28(21-24-13-15-26(50)16-14-24)46-34(53)30-12-9-19-49(30)36(55)27(11-8-18-44-38(42)43)45-31(51)22-25(41)10-6-7-17-40/h13-16,23,25,27-30,32,50H,6-12,17-22,40-41H2,1-5H3,(H,45,51)(H,46,53)(H,47,54)(H,48,52)(H,56,57)(H4,42,43,44)/t25-,27-,28-,29-,30-,32+/m0/s1
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n/an/an/an/a 6.21n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50257193
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-3,7-diamino...)
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](CCCN=C(N)N)NC(=O)C[C@@](C)(N)CCCCN)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C40H68N10O8/c1-24(2)21-29(37(57)58)48-35(55)32(39(3,4)5)49-33(53)28(22-25-13-15-26(51)16-14-25)47-34(54)30-12-10-20-50(30)36(56)27(11-9-19-45-38(42)43)46-31(52)23-40(6,44)17-7-8-18-41/h13-16,24,27-30,32,51H,7-12,17-23,41,44H2,1-6H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,42,43,45)/t27-,28-,29-,30-,32+,40-/m0/s1
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n/an/an/an/a 6.44n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
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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n/an/an/an/a 7n/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Partial agonist activity at rat NTS2 stably expressed in CHOK1 cells assessed as induction of calcium release by FLIPR assay relative to SR142948a


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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50458827
PNG
(CHEMBL4206391)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(CC=C)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCNCC=C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C44H72N8O8/c1-7-15-31-26-30(19-20-37(31)53)27-34(40(55)51-38(29(6)9-3)42(57)50-35(44(59)60)25-28(4)5)49-41(56)36-18-14-24-52(36)43(58)33(17-10-12-21-45)48-39(54)32(46)16-11-13-23-47-22-8-2/h7-8,19-20,26,28-29,32-36,38,47,53H,1-2,9-18,21-25,27,45-46H2,3-6H3,(H,48,54)(H,49,56)(H,50,57)(H,51,55)(H,59,60)/t29-,32-,33-,34-,35-,36-,38-/m0/s1
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n/an/an/an/a 7n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at Galphaq-Rluc2/Gbeta1/GFP10-Ggamma1 fused human NTS1 expressed in CHO-K1 cell membranes assessed as Galphaq activation after 5 min...


J Med Chem 61: 7103-7115 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00175
BindingDB Entry DOI: 10.7270/Q2D50QMT
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50257192
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-7-amino-3-a...)
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](CCCN=C(N)N)NC(=O)C[C@H](CCCCN)N=[N+]=[N-])C(C)(C)C)C(O)=O
Show InChI InChI=1S/C39H64N12O8/c1-23(2)20-29(37(58)59)47-35(56)32(39(3,4)5)48-33(54)28(21-24-13-15-26(52)16-14-24)46-34(55)30-12-9-19-51(30)36(57)27(11-8-18-44-38(41)42)45-31(53)22-25(49-50-43)10-6-7-17-40/h13-16,23,25,27-30,32,52H,6-12,17-22,40H2,1-5H3,(H,45,53)(H,46,55)(H,47,56)(H,48,54)(H,58,59)(H4,41,42,44)/t25-,27-,28-,29-,30-,32+/m0/s1
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n/an/an/an/a 7.28n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50257187
PNG
((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@](C)(N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-6-23(4)30(33(55)48-28(35(57)58)20-22(2)3)50-31(53)27(21-24-12-14-25(52)15-13-24)47-32(54)29-11-8-19-51(29)34(56)26(10-7-17-45-37(40)41)49-36(59)39(5,44)16-9-18-46-38(42)43/h12-15,22-23,26-30,52H,6-11,16-21,44H2,1-5H3,(H,47,54)(H,48,55)(H,49,59)(H,50,53)(H,57,58)(H4,40,41,45)(H4,42,43,46)/t23-,26+,27+,28+,29+,30+,39+/m1/s1
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n/an/an/an/a 7.76n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50257191
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-7-amino-3-(...)
Show SMILES CN[C@@H](CCCCN)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C40H68N10O8/c1-24(2)21-30(38(57)58)48-36(55)33(40(3,4)5)49-34(53)29(22-25-14-16-27(51)17-15-25)47-35(54)31-13-10-20-50(31)37(56)28(12-9-19-45-39(42)43)46-32(52)23-26(44-6)11-7-8-18-41/h14-17,24,26,28-31,33,44,51H,7-13,18-23,41H2,1-6H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,42,43,45)/t26-,28-,29-,30-,31-,33+/m0/s1
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n/an/an/an/a 7.96n/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay


J Med Chem 52: 1803-13 (2009)


Article DOI: 10.1021/jm801072v
BindingDB Entry DOI: 10.7270/Q2VD6Z9D
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50458827
PNG
(CHEMBL4206391)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)c(CC=C)c1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCNCC=C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C44H72N8O8/c1-7-15-31-26-30(19-20-37(31)53)27-34(40(55)51-38(29(6)9-3)42(57)50-35(44(59)60)25-28(4)5)49-41(56)36-18-14-24-52(36)43(58)33(17-10-12-21-45)48-39(54)32(46)16-11-13-23-47-22-8-2/h7-8,19-20,26,28-29,32-36,38,47,53H,1-2,9-18,21-25,27,45-46H2,3-6H3,(H,48,54)(H,49,56)(H,50,57)(H,51,55)(H,59,60)/t29-,32-,33-,34-,35-,36-,38-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Agonist activity at GFP10/beta-arrestin2-Rluc2 fused human NTS1 expressed in CHO-K1 cell membranes assessed as beta-arrestin2 recruitment after 20 mi...


J Med Chem 61: 7103-7115 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00175
BindingDB Entry DOI: 10.7270/Q2D50QMT
More data for this
Ligand-Target Pair
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