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Compile Data Set for Download or QSAR

Found 929 hits Enz. Inhib. hit(s) with Target = 'Neurotensin receptor 1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neurotensin receptor 1


(Rattus norvegicus)
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)
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)
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



Universit£ 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)
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)
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)
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)
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



Universit£ 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)
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
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



Universit£ 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)
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
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



Universit£ 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)
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



Universit£ 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)
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)
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



Universit£ 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)
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)
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)
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)
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)
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



Universit£ 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)
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)
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
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)
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)
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
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



Universit£ 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)
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)
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)
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
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)
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)
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)
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 11n/an/an/an/a



Universit£ 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)
BDBM50322368
PNG
((S)-5-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3...)
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](CCCNC(N)=N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C41H69N9O8/c1-25(2)23-31(39(57)58)47-37(55)33(41(4,5)6)48-35(53)30(24-27-16-18-28(51)19-17-27)46-36(54)32-15-11-21-49(32)38(56)29(14-10-20-44-40(42)43)45-34(52)26(3)13-12-22-50(7,8)9/h16-19,25-26,29-33H,10-15,20-24H2,1-9H3,(H9-,42,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t26-,29-,30-,31-,32-,33+/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Medical University of South Carolina Campus

Curated by ChEMBL


Assay Description
Binding affinity to human NTR1 by gamma counting


J Med Chem 53: 4623-32 (2010)


Article DOI: 10.1021/jm100092s
BindingDB Entry DOI: 10.7270/Q2DF6RDK
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(Rattus norvegicus)
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 23n/an/an/an/a



Universit£ 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)
BDBM50257194
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-(7-aminoheptanam...)
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)CCCCCCN)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C39H65N9O8/c1-24(2)22-29(37(55)56)46-35(53)32(39(3,4)5)47-33(51)28(23-25-15-17-26(49)18-16-25)45-34(52)30-13-11-21-48(30)36(54)27(12-10-20-43-38(41)42)44-31(50)14-8-6-7-9-19-40/h15-18,24,27-30,32,49H,6-14,19-23,40H2,1-5H3,(H,44,50)(H,45,52)(H,46,53)(H,47,51)(H,55,56)(H4,41,42,43)/t27-,28-,29-,30-,32+/m0/s1
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n/an/an/an/a 25.8n/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)
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
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/an/an/a 27n/an/an/an/a



Universit£ 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
Neurotensin receptor 1


(Rattus norvegicus)
BDBM50322368
PNG
((S)-5-((S)-1-((S)-2-((S)-1-((S)-1-((S)-1-carboxy-3...)
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](CCCNC(N)=N)NC(=O)[C@@H](C)CCC[N+](C)(C)C)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C41H69N9O8/c1-25(2)23-31(39(57)58)47-37(55)33(41(4,5)6)48-35(53)30(24-27-16-18-28(51)19-17-27)46-36(54)32-15-11-21-49(32)38(56)29(14-10-20-44-40(42)43)45-34(52)26(3)13-12-22-50(7,8)9/h16-19,25-26,29-33H,10-15,20-24H2,1-9H3,(H9-,42,43,44,45,46,47,48,51,52,53,54,55,57,58)/p+1/t26-,29-,30-,31-,32-,33+/m0/s1
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n/an/an/an/a 28n/an/an/an/a



Medical University of South Carolina Campus

Curated by ChEMBL


Assay Description
Agonist activity at rat NTR1 expressed in LTK cells assessed as calcium mobilization


J Med Chem 53: 4623-32 (2010)


Article DOI: 10.1021/jm100092s
BindingDB Entry DOI: 10.7270/Q2DF6RDK
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
BDBM50257190
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-2-((S)-3-acetamido...)
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)NC(C)=O)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C41H68N10O9/c1-24(2)21-31(39(59)60)49-37(57)34(41(4,5)6)50-35(55)30(22-26-14-16-28(53)17-15-26)48-36(56)32-13-10-20-51(32)38(58)29(12-9-19-45-40(43)44)47-33(54)23-27(46-25(3)52)11-7-8-18-42/h14-17,24,27,29-32,34,53H,7-13,18-23,42H2,1-6H3,(H,46,52)(H,47,54)(H,48,56)(H,49,57)(H,50,55)(H,59,60)(H4,43,44,45)/t27-,29-,30-,31-,32-,34+/m0/s1
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n/an/an/an/a 57.7n/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)
BDBM50248035
PNG
((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1
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n/an/an/an/a 67n/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)
BDBM50257197
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-a...)
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](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N=[N+]=[N-])C(C)(C)C)C(O)=O
Show InChI InChI=1S/C40H63N13O7/c1-23(2)20-30(38(59)60)49-36(57)32(40(3,4)5)50-34(55)29(21-24-22-46-26-13-7-6-12-25(24)26)48-35(56)31-16-11-19-53(31)37(58)28(14-8-9-17-41)47-33(54)27(51-52-44)15-10-18-45-39(42)43/h6-7,12-13,22-23,27-32,46H,8-11,14-21,41H2,1-5H3,(H,47,54)(H,48,56)(H,49,57)(H,50,55)(H,59,60)(H4,42,43,45)/t27-,28-,29-,30-,31-,32+/m0/s1
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n/an/an/an/a 151n/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)
BDBM50248035
PNG
((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxy...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1
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n/an/an/an/a<156n/an/an/an/a



Conrad Prebys Center for Chemical Genomics at Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at NTR1 (unknown origin) expressed in CHO cells assessed as Ca2+ mobilization by Fluo-4 NW dye-based fluorescence assay


Bioorg Med Chem Lett 24: 262-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.11.026
BindingDB Entry DOI: 10.7270/Q2NV9KQ0
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
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
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/an/an/a 169n/an/an/an/a



Universit£ 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)
BDBM50248172
PNG
((S)-4-methyl-2-(2-(5-(quinoline-8-sulfonamido)-1H-...)
Show SMILES CC(C)C[C@H](NC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc12)C(O)=O
Show InChI InChI=1S/C25H26N4O5S/c1-16(2)13-20(25(31)32)27-23(30)15-29-12-10-18-14-19(8-9-21(18)29)28-35(33,34)22-7-3-5-17-6-4-11-26-24(17)22/h3-12,14,16,20,28H,13,15H2,1-2H3,(H,27,30)(H,31,32)/t20-/m0/s1
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n/an/an/an/a 178n/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)
BDBM50240339
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-5-g...)
Show SMILES CN[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C41H67N11O7/c1-24(2)21-31(39(58)59)50-37(56)33(41(3,4)5)51-35(54)30(22-25-23-47-27-14-8-7-13-26(25)27)49-36(55)32-17-12-20-52(32)38(57)29(15-9-10-18-42)48-34(53)28(45-6)16-11-19-46-40(43)44/h7-8,13-14,23-24,28-33,45,47H,9-12,15-22,42H2,1-6H3,(H,48,53)(H,49,55)(H,50,56)(H,51,54)(H,58,59)(H4,43,44,46)/t28-,29-,30-,31-,32-,33+/m0/s1
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n/an/an/an/a 200n/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)
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 204n/an/an/an/a



Universit£ 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)
BDBM50034787
PNG
(2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-meth...)
Show SMILES CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O
Show InChI InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)
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n/an/an/an/a 216n/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)
BDBM50257195
PNG
((S)-2-((S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-a...)
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](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C40H65N11O7/c1-23(2)20-30(38(57)58)49-36(55)32(40(3,4)5)50-34(53)29(21-24-22-46-27-14-7-6-12-25(24)27)48-35(54)31-16-11-19-51(31)37(56)28(15-8-9-17-41)47-33(52)26(42)13-10-18-45-39(43)44/h6-7,12,14,22-23,26,28-32,46H,8-11,13,15-21,41-42H2,1-5H3,(H,47,52)(H,48,54)(H,49,55)(H,50,53)(H,57,58)(H4,43,44,45)/t26-,28-,29-,30-,31-,32+/m0/s1
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n/an/an/an/a 217n/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)
BDBM50248139
PNG
((2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2-methoxyphen...)
Show SMILES COc1ccccc1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C26H25ClN4O4/c1-15(2)12-21(26(33)34)29-25(32)20-14-23(18-6-4-5-7-24(18)35-3)31(30-20)22-10-11-28-19-13-16(27)8-9-17(19)22/h4-11,13-15,21H,12H2,1-3H3,(H,29,32)(H,33,34)/t21-/m0/s1
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n/an/an/an/a 220n/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
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