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Compile Data Set for Download or QSAR

Found 4827 hits Enz. Inhib. hit(s) with Target = 'NT'   
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


(MOUSE)
BDBM50281791
PNG
(Ac-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH | CHEMBL...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C55H91N17O13/c1-6-31(4)44(50(81)69-40(53(84)85)27-30(2)3)70-47(78)38(28-33-18-20-34(74)21-19-33)68-49(80)42-17-12-26-72(42)52(83)37(15-10-24-63-55(60)61)66-45(76)35(14-9-23-62-54(58)59)65-48(79)41-16-11-25-71(41)51(82)36(13-7-8-22-56)67-46(77)39(29-43(57)75)64-32(5)73/h18-21,30-31,35-42,44,74H,6-17,22-29,56H2,1-5H3,(H2,57,75)(H,64,73)(H,65,79)(H,66,76)(H,67,77)(H,68,80)(H,69,81)(H,70,78)(H,84,85)(H4,58,59,62)(H4,60,61,63)/t31-,35+,36+,37+,38+,39+,40+,41+,42+,44+/m1/s1
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0.0130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
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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0.0180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
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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0.0180n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Binding affinity to NTR1 in mouse brain membrane


Bioorg Med Chem Lett 18: 2013-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.110
BindingDB Entry DOI: 10.7270/Q2HM5994
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50281781
PNG
(Ac-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH | CHEMBL2645...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C51H85N15O11/c1-6-30(4)41(46(73)63-38(49(76)77)27-29(2)3)64-43(70)37(28-32-18-20-33(68)21-19-32)62-45(72)40-17-12-26-66(40)48(75)36(15-10-24-58-51(55)56)61-42(69)34(14-9-23-57-50(53)54)60-44(71)39-16-11-25-65(39)47(74)35(59-31(5)67)13-7-8-22-52/h18-21,29-30,34-41,68H,6-17,22-28,52H2,1-5H3,(H,59,67)(H,60,71)(H,61,69)(H,62,72)(H,63,73)(H,64,70)(H,76,77)(H4,53,54,57)(H4,55,56,58)/t30-,34+,35+,36+,37+,38+,39+,40+,41+/m1/s1
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0.0240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50286859
PNG
(2-{2-[(S)-2-({1-[(S)-6-Amino-2-((S)-(S)-2,6-diamin...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C40H67N9O6/c1-5-26(4)35(38(52)47-33(40(54)55)21-25(2)3)48-36(50)32(22-27-23-44-30-15-7-6-14-29(27)30)46-37(51)34-17-12-20-49(34)39(53)31(16-9-11-19-42)45-24-28(43)13-8-10-18-41/h6-7,14-15,23,25-26,28,31-35,44-45H,5,8-13,16-22,24,41-43H2,1-4H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)/t26-,28-,31-,32-,33-,34+,35-/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
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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0.0640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro for its binding affinity against Neurotensin Receptor after peripheral administration


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50281785
PNG
((S)-2-{2-[(S)-2-{[(S)-1-((S)-2-{(S)-2-[((S)-1-Acet...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H73N13O10/c1-6-26(4)36(41(65)55-33(43(67)68)23-25(2)3)56-38(62)32(24-28-15-17-29(60)18-16-28)54-40(64)35-14-10-22-58(35)42(66)31(12-8-20-51-45(48)49)53-37(61)30(11-7-19-50-44(46)47)52-39(63)34-13-9-21-57(34)27(5)59/h15-18,25-26,30-36,60H,6-14,19-24H2,1-5H3,(H,52,63)(H,53,61)(H,54,64)(H,55,65)(H,56,62)(H,67,68)(H4,46,47,50)(H4,48,49,51)/t26-,30+,31+,32+,33+,34+,35+,36+/m1/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50286864
PNG
((S)-2-{(S)-2-[(S)-2-({(R)-1-[5-Guanidino-2-(3-guan...)
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(CCCNC(N)=N)CCCNC(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C38H61N11O6/c1-22(2)19-28(35(54)55)47-33(52)30(38(3,4)5)48-31(50)27(20-24-21-45-26-14-7-6-13-25(24)26)46-32(51)29-15-10-18-49(29)34(53)23(11-8-16-43-36(39)40)12-9-17-44-37(41)42/h6-7,13-14,21-23,27-30,45H,8-12,15-20H2,1-5H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)(H4,39,40,43)(H4,41,42,44)/t27-,28-,29+,30+/m0/s1
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0.100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
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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0.110n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 305-13 (2002)


Article DOI: 10.1124/jpet.300.1.305
BindingDB Entry DOI: 10.7270/Q2X34W09
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50281793
PNG
(Ac-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C75H118N20O19/c1-8-42(6)61(70(110)92-56(73(113)114)36-41(4)5)93-67(107)54(38-45-22-26-47(98)27-23-45)91-69(109)58-19-14-34-95(58)72(112)51(17-12-32-83-75(80)81)87-62(102)48(16-11-31-82-74(78)79)86-68(108)57-18-13-33-94(57)71(111)50(15-9-10-30-76)88-66(106)55(39-59(77)99)90-63(103)49(28-29-60(100)101)85-65(105)53(37-44-20-24-46(97)25-21-44)89-64(104)52(35-40(2)3)84-43(7)96/h20-27,40-42,48-58,61,97-98H,8-19,28-39,76H2,1-7H3,(H2,77,99)(H,84,96)(H,85,105)(H,86,108)(H,87,102)(H,88,106)(H,89,104)(H,90,103)(H,91,109)(H,92,110)(H,93,107)(H,100,101)(H,113,114)(H4,78,79,82)(H4,80,81,83)/t42-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,61+/m1/s1
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0.110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50281795
PNG
(Ac-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH | CH...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C60H98N18O16/c1-6-33(4)48(55(90)75-43(58(93)94)29-32(2)3)76-52(87)41(30-35-18-20-36(80)21-19-35)74-54(89)45-17-12-28-78(45)57(92)40(15-10-26-68-60(65)66)71-49(84)37(14-9-25-67-59(63)64)70-53(88)44-16-11-27-77(44)56(91)39(13-7-8-24-61)72-51(86)42(31-46(62)81)73-50(85)38(69-34(5)79)22-23-47(82)83/h18-21,32-33,37-45,48,80H,6-17,22-31,61H2,1-5H3,(H2,62,81)(H,69,79)(H,70,88)(H,71,84)(H,72,86)(H,73,85)(H,74,89)(H,75,90)(H,76,87)(H,82,83)(H,93,94)(H4,63,64,67)(H4,65,66,68)/t33-,37+,38+,39+,40+,41+,42+,43+,44+,45+,48+/m1/s1
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0.120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
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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0.130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50366427
PNG
(CHEMBL1793865)
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[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H66N8O7/c1-5-25(4)33(36(50)44-31(38(52)53)21-24(2)3)45-34(48)30(22-26-14-16-28(47)17-15-26)43-35(49)32-13-10-20-46(32)37(51)29(12-7-9-19-40)42-23-27(41)11-6-8-18-39/h14-17,24-25,27,29-33,42,47H,5-13,18-23,39-41H2,1-4H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t25-,27-,29-,30-,31-,32+,33-/m0/s1
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0.150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
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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0.170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration producing half maximal inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptor in neonatal mouse whole brain (minus cereb...


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
NT


(GUINEA PIG)
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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0.170n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 802-12 (1997)


BindingDB Entry DOI: 10.7270/Q2RR1WR1
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50281784
PNG
(Ac-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu-OH ...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C69H107N19O18/c1-6-38(4)56(64(102)85-51(67(105)106)33-37(2)3)86-61(99)49(35-41-20-24-43(91)25-21-41)84-63(101)53-17-12-32-88(53)66(104)47(15-10-30-77-69(74)75)81-57(95)44(14-9-29-76-68(72)73)80-62(100)52-16-11-31-87(52)65(103)46(13-7-8-28-70)82-60(98)50(36-54(71)92)83-58(96)45(26-27-55(93)94)79-59(97)48(78-39(5)89)34-40-18-22-42(90)23-19-40/h18-25,37-38,44-53,56,90-91H,6-17,26-36,70H2,1-5H3,(H2,71,92)(H,78,89)(H,79,97)(H,80,100)(H,81,95)(H,82,98)(H,83,96)(H,84,101)(H,85,102)(H,86,99)(H,93,94)(H,105,106)(H4,72,73,76)(H4,74,75,77)/t38-,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,56+/m1/s1
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0.210n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50281787
PNG
((1S,4R)-2-{2-[2-({(S)-1-[(S)-2-((S)-2-Amino-propio...)
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](C)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C35H57N9O8/c1-6-20(4)28(32(49)42-26(34(51)52)17-19(2)3)43-30(47)25(18-22-11-13-23(45)14-12-22)41-31(48)27-10-8-16-44(27)33(50)24(40-29(46)21(5)36)9-7-15-39-35(37)38/h11-14,19-21,24-28,45H,6-10,15-18,36H2,1-5H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H,51,52)(H4,37,38,39)/t20-,21+,24+,25+,26+,27+,28+/m1/s1
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0.25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM82078
PNG
(CAS_55508-42-4 | NSC_128644 | Neurotensin)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C36H58N8O9/c1-5-21(4)30(34(50)42-27(36(52)53)17-20(2)3)43-32(48)25(18-22-11-13-23(45)14-12-22)40-33(49)28-10-8-16-44(28)35(51)26(19-29(39)46)41-31(47)24(38)9-6-7-15-37/h11-14,20-21,24-28,30,45H,5-10,15-19,37-38H2,1-4H3,(H2,39,46)(H,40,49)(H,41,47)(H,42,50)(H,43,48)(H,52,53)
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0.25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 305-13 (2002)


Article DOI: 10.1124/jpet.300.1.305
BindingDB Entry DOI: 10.7270/Q2X34W09
More data for this
Ligand-Target Pair
NT


(Homo sapiens (Human))
BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)
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0.280n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 802-12 (1997)


BindingDB Entry DOI: 10.7270/Q2RR1WR1
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50018839
PNG
(CHEMBL3286829)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2CN(C)C(=O)c2ccc(F)cc12)C1CC1
Show InChI InChI=1S/C23H24FN5O2/c1-12-17-9-15(24)6-7-16(17)23(30)28(2)11-18-20(21(13-4-5-13)27-29(18)3)14-8-19(31-12)22(25)26-10-14/h6-10,12-13H,4-5,11H2,1-3H3,(H2,25,26)/t12-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TRKB (unknown origin) by off-chip mobility shift assay


J Med Chem 57: 4720-44 (2014)


Article DOI: 10.1021/jm500261q
BindingDB Entry DOI: 10.7270/Q2K35W68
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50286868
PNG
((1S,2S,4S)-2-{2-[(S)-2-({1-[6-Amino-2-(2,6-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](CCCCN)NC[C@@H](N)CCCCN)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C38H66N8O7/c1-24(2)21-30(37(52)53)44-35(50)32(38(3,4)5)45-33(48)29(22-25-14-16-27(47)17-15-25)43-34(49)31-13-10-20-46(31)36(51)28(12-7-9-19-40)42-23-26(41)11-6-8-18-39/h14-17,24,26,28-32,42,47H,6-13,18-23,39-41H2,1-5H3,(H,43,49)(H,44,50)(H,45,48)(H,52,53)/t26-,28-,29-,30-,31+,32+/m0/s1
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0.400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50018815
PNG
(CHEMBL3286820)
Show SMILES C[C@H]1Oc2cc(cnc2N)-c2c(C)nn(C)c2CN(C)C(=O)c2ccc(F)cc12
Show InChI InChI=1S/C21H22FN5O2/c1-11-19-13-7-18(20(23)24-9-13)29-12(2)16-8-14(22)5-6-15(16)21(28)26(3)10-17(19)27(4)25-11/h5-9,12H,10H2,1-4H3,(H2,23,24)/t12-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TRKB (unknown origin) by off-chip mobility shift assay


J Med Chem 57: 4720-44 (2014)


Article DOI: 10.1021/jm500261q
BindingDB Entry DOI: 10.7270/Q2K35W68
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
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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0.520n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US9617258, Example 5)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1S/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/m0/s1
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0.545n/an/an/an/an/an/a7.5n/a



Pfizer Worldwide R&D



Assay Description
Assay buffer was 20 mM HEPES, pH 7.5, 10 mM MgCl2, 0.01% BSA, 1 mM DTT, 0.0005% Tween 20, and 2% DMSO. Inactivation kinetic reactions were performed ...


ACS Chem Biol 11: 3442-3451 (2016)


Article DOI: 10.1021/acschembio.6b00677
BindingDB Entry DOI: 10.7270/Q2PN94F8
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens (Human))
BDBM50342238
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-3-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@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-5-23(4)32(35(56)49-29(37(58)59)19-22(2)3)50-33(54)28(20-24-12-14-26(52)15-13-24)48-34(55)30-11-8-18-51(30)36(57)27(10-7-17-46-39(43)44)47-31(53)21-25(40)9-6-16-45-38(41)42/h12-15,22-23,25,27-30,32,52H,5-11,16-21,40H2,1-4H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,25-,27-,28-,29-,30-,32-/m0/s1
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0.610n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


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
NT


(GUINEA PIG)
BDBM50033676
PNG
((S)-2-{(R)-2-[2-({1-[2-(2-Amino-5-guanidino-pentan...)
Show SMILES CCC(C)[C@@H](NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(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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0.630n/an/an/an/an/an/an/an/a



Hôpital Saint-Antoine

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1450-8 (1995)


BindingDB Entry DOI: 10.7270/Q2GB22J5
More data for this
Ligand-Target Pair
Neurotensin receptor


(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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0.740n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NT(8 to 13 residues) from human NTSR2 expressed in HEK293 cell membranes


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


(Homo sapiens (Human))
BDBM50342241
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-(2-(...)
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)CNCCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N8O8/c1-5-25(4)33(36(51)44-30(38(53)54)21-24(2)3)45-34(49)29(22-26-13-15-27(47)16-14-26)43-35(50)31-12-10-20-46(31)37(52)28(11-6-7-17-39)42-32(48)23-41-19-9-8-18-40/h13-16,24-25,28-31,33,41,47H,5-12,17-23,39-40H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t25-,28-,29-,30-,31-,33-/m0/s1
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0.740n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


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
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50378656
PNG
(CHEMBL598619)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1O[C@@H](COP(O)(=O)CP(O)(O)=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m0/s1
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0.870n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)


Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50368125
PNG
(ADENOSINE DIPHOSPHATE | ADP)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO[P@@](O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method


J Med Chem 53: 2076-86 (2010)


Article DOI: 10.1021/jm901851t
BindingDB Entry DOI: 10.7270/Q2DZ097V
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50281794
PNG
((S)-2-{(2S,3R)-2-[(S)-2-{2-[2-((S)-2-(S)-Amino-5-g...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=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/C36H62N12O8/c1-6-20(4)28(33(54)47-27(34(55)56)17-19(2)3)48-32(53)26(18-22-11-13-23(49)14-12-22)46-29(50)21(5)44-31(52)25(10-8-16-43-36(40)41)45-30(51)24(37)9-7-15-42-35(38)39/h11-14,19-21,24-28,49H,6-10,15-18,37H2,1-5H3,(H,44,52)(H,45,51)(H,46,50)(H,47,54)(H,48,53)(H,55,56)(H4,38,39,42)(H4,40,41,43)/t20-,21+,24+,25+,26+,27+,28+/m1/s1
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0.920n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
NT


(GUINEA PIG)
BDBM50248034
PNG
(2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
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0.990n/an/an/an/an/an/an/an/a



Hôpital Saint-Antoine

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1450-8 (1995)


BindingDB Entry DOI: 10.7270/Q2GB22J5
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50286866
PNG
(2-{2-[(S)-2-({1-[(S)-6-Amino-2-((S)-2,6-diamino-he...)
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[C@@H](N)CCCCN)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C40H67N9O6/c1-25(2)21-32(39(54)55)47-37(52)34(40(3,4)5)48-35(50)31(22-26-23-44-29-15-7-6-14-28(26)29)46-36(51)33-17-12-20-49(33)38(53)30(16-9-11-19-42)45-24-27(43)13-8-10-18-41/h6-7,14-15,23,25,27,30-34,44-45H,8-13,16-22,24,41-43H2,1-5H3,(H,46,51)(H,47,52)(H,48,50)(H,54,55)/t27-,30-,31-,32-,33+,34+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
Neurotensin receptor


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



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [leucine-3H]NT (8 to 13 residues) from human NTS2 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting


Bioorg Med Chem 25: 350-359 (2017)


Article DOI: 10.1016/j.bmc.2016.10.039
BindingDB Entry DOI: 10.7270/Q2DR2XG4
More data for this
Ligand-Target Pair
Neurotensin receptor


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



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NT(8 to 13 residues) from human NTSR2 expressed in HEK293 cell membranes


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
NT


(GUINEA PIG)
BDBM82417
PNG
(CHEMBL461604 | SR 48527)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C29H29ClN4O5/c1-38-24-9-6-10-25(39-2)26(24)23-16-21(28(35)32-27(29(36)37)17-7-4-3-5-8-17)33-34(23)22-13-14-31-20-15-18(30)11-12-19(20)22/h6,9-17,27H,3-5,7-8H2,1-2H3,(H,32,35)(H,36,37)/t27-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Hôpital Saint-Antoine

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1450-8 (1995)


BindingDB Entry DOI: 10.7270/Q2GB22J5
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50281782
PNG
((1S,4R)-2-{2-[2-[((S)-{(S)-1-[2-((S)-2-Amino-5-gua...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C35H57N9O8/c1-6-20(4)28(32(49)42-26(34(51)52)17-19(2)3)43-30(47)25(18-22-11-13-23(45)14-12-22)41-31(48)27-10-8-16-44(27)33(50)21(5)40-29(46)24(36)9-7-15-39-35(37)38/h11-14,19-21,24-28,45H,6-10,15-18,36H2,1-5H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H,51,52)(H4,37,38,39)/t20-,21+,24+,25+,26+,27+,28+/m1/s1
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2.10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
NT


(GUINEA PIG)
BDBM50248034
PNG
(2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
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2.5n/an/an/an/an/an/an/an/a



Hôpital Saint-Antoine

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1450-8 (1995)


BindingDB Entry DOI: 10.7270/Q2GB22J5
More data for this
Ligand-Target Pair
Neurotensin receptor


(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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2.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]NT(8 to 13 residues) from human NTSR2 expressed in HEK293 cell membranes


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
NT


(GUINEA PIG)
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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2.80n/an/an/an/an/an/an/an/a



Hôpital Saint-Antoine

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1450-8 (1995)


BindingDB Entry DOI: 10.7270/Q2GB22J5
More data for this
Ligand-Target Pair
NTSR2


(MOUSE)
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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3.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 305-13 (2002)


Article DOI: 10.1124/jpet.300.1.305
BindingDB Entry DOI: 10.7270/Q2X34W09
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50286861
PNG
((S)-2-{(S)-2-[(S)-2-({(R)-1-[6-Amino-2-(4-amino-bu...)
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(CCCCN)CCCCN)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C38H61N7O6/c1-24(2)21-30(37(50)51)43-35(48)32(38(3,4)5)44-33(46)29(22-26-23-41-28-16-7-6-15-27(26)28)42-34(47)31-17-12-20-45(31)36(49)25(13-8-10-18-39)14-9-11-19-40/h6-7,15-16,23-25,29-32,41H,8-14,17-22,39-40H2,1-5H3,(H,42,47)(H,43,48)(H,44,46)(H,50,51)/t29-,30-,31+,32+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for Neurotensin Receptor


Bioorg Med Chem Lett 5: 997-1002 (1995)


Article DOI: 10.1016/0960-894X(95)00155-M
BindingDB Entry DOI: 10.7270/Q2GQ6Z76
More data for this
Ligand-Target Pair
NT


(GUINEA PIG)
BDBM50248034
PNG
(2-{[1-(7-Chloro-quinolin-4-yl)-5-(2,6-dimethoxy-ph...)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)
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3.90n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 280: 802-12 (1997)


BindingDB Entry DOI: 10.7270/Q2RR1WR1
More data for this
Ligand-Target Pair
Neurotensin receptor


(Homo sapiens (Human))
BDBM50342244
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-6-amino-2-((S)-2,6...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N8O8/c1-5-26(4)34(36(51)44-31(39(54)55)23-25(2)3)45-33(49)24-46(22-18-27-14-16-28(48)17-15-27)38(53)32-13-10-21-47(32)37(52)30(12-7-9-20-41)43-35(50)29(42)11-6-8-19-40/h14-17,25-26,29-32,34,48H,5-13,18-24,40-42H2,1-4H3,(H,43,50)(H,44,51)(H,45,49)(H,54,55)/t26-,29-,30-,31-,32-,34-/m0/s1
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4.30n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


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
Neurotensin receptor


(Homo sapiens (Human))
BDBM50342245
PNG
((S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-((S)-2,6-diamino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)CN(CCc1ccc(O)cc1)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N10O8/c1-5-25(4)33(35(53)46-30(38(56)57)22-24(2)3)47-32(51)23-48(21-17-26-13-15-27(50)16-14-26)37(55)31-12-9-20-49(31)36(54)29(11-8-19-44-39(42)43)45-34(52)28(41)10-6-7-18-40/h13-16,24-25,28-31,33,50H,5-12,17-23,40-41H2,1-4H3,(H,45,52)(H,46,53)(H,47,51)(H,56,57)(H4,42,43,44)/t25-,28-,29-,30-,31-,33-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


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
NT


(GUINEA PIG)
BDBM82417
PNG
(CHEMBL461604 | SR 48527)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C29H29ClN4O5/c1-38-24-9-6-10-25(39-2)26(24)23-16-21(28(35)32-27(29(36)37)17-7-4-3-5-8-17)33-34(23)22-13-14-31-20-15-18(30)11-12-19(20)22/h6,9-17,27H,3-5,7-8H2,1-2H3,(H,32,35)(H,36,37)/t27-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



Hôpital Saint-Antoine

Curated by PDSP Ki Database




J Pharmacol Exp Ther 273: 1450-8 (1995)


BindingDB Entry DOI: 10.7270/Q2GB22J5
More data for this
Ligand-Target Pair
Neurotensin receptor 1


(MOUSE)
BDBM50281786
PNG
(2-{(S)-2-[2-({(S)-1-[(S)-2-((S)-2-Amino-5-guanidin...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)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)=O
Show InChI InChI=1S/C35H58N12O8/c1-19(2)17-26(33(54)55)46-28(49)20(3)43-30(51)25(18-21-10-12-22(48)13-11-21)45-31(52)27-9-6-16-47(27)32(53)24(8-5-15-42-35(39)40)44-29(50)23(36)7-4-14-41-34(37)38/h10-13,19-20,23-27,48H,4-9,14-18,36H2,1-3H3,(H,43,51)(H,44,50)(H,45,52)(H,46,49)(H,54,55)(H4,37,38,41)(H4,39,40,42)/t20-,23-,24-,25-,26-,27-/m0/s1
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4.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum)


Bioorg Med Chem Lett 3: 949-952 (1993)


Article DOI: 10.1016/S0960-894X(00)80698-8
BindingDB Entry DOI: 10.7270/Q2CJ8DDX
More data for this
Ligand-Target Pair
Ecto-5'-nucleotidase (e5'NT)


(Rattus norvegicus (Rat))
BDBM50437933
PNG
(CHEMBL2408703)
Show SMILES CCOC1Oc2ccc(CC)cc2C(=O)C1=CNc1ccccc1S(N)(=O)=O
Show InChI InChI=1S/C20H22N2O5S/c1-3-13-9-10-17-14(11-13)19(23)15(20(27-17)26-4-2)12-22-16-7-5-6-8-18(16)28(21,24)25/h5-12,20,22H,3-4H2,1-2H3,(H2,21,24,25)
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4.70n/an/an/an/an/an/an/an/a



Forman Christian College (A Chartered University)

Curated by ChEMBL


Assay Description
Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins


Eur J Med Chem 115: 484-94 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.073
BindingDB Entry DOI: 10.7270/Q2K939D7
More data for this
Ligand-Target Pair
Neurotensin receptor


(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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4.90n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


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
Neurotensin receptor


(Homo sapiens (Human))
BDBM50342240
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((R)-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@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-/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells


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
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