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Compile Data Set for Download or QSAR

Found 1233 hits Enz. Inhib. hit(s) with Target = 'Dopamine receptor D2L/neurotensin receptor NTS1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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0.129n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...


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


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


(Homo sapiens (Human))
BDBM50240845
PNG
((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
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0.140n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Binding affinity to human NTR1


J Med Chem 52: 1803-13 (2009)


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


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
BDBM50502374
PNG
(CHEMBL4593174)
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](CCCNC(N)=N)NC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8.3C2HF3O2/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;3*3-2(4,5)1(6)7/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);3*(H,6,7)/t23-,26-,27-,28-,29-,30-,31-;;;/m0.../s1
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0.223n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter


ACS Med Chem Lett 10: 960-965 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00122
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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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0.230n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO 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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human NTS1R


ACS Med Chem Lett 11: 334-339 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00388
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50342239
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-2-((S)-2-amino...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CCC(=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/C38H66N12O8/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/h12,21-22,25-30H,5-11,13-20,39H2,1-4H3,(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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0.240n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO 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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHOK1 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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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0.240n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1


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


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


(Homo sapiens (Human))
BDBM50159160
PNG
(CHEMBL3786779)
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)NCCOCCOCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H78N14O11.4C2HF3O2/c1-5-28(4)36(40(64)56-34(42(66)67)25-27(2)3)57-38(62)33(26-29-12-14-30(60)15-13-29)55-39(63)35-11-8-20-59(35)41(65)32(10-7-17-51-43(48)49)54-37(61)31(47)9-6-18-52-44(50)58-45(68)53-19-22-70-24-23-69-21-16-46;4*3-2(4,5)1(6)7/h12-15,27-28,31-36,60H,5-11,16-26,46-47H2,1-4H3,(H,54,61)(H,55,63)(H,56,64)(H,57,62)(H,66,67)(H4,48,49,51)(H4,50,52,53,58,68);4*(H,6,7)/t28-,31-,32-,33-,34-,35-,36-;;;;/m0..../s1
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0.260n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
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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0.270n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]NT binding to porcine striatal Neurotensin receptor 1


J Med Chem 47: 5587-90 (2004)


Article DOI: 10.1021/jm049644y
BindingDB Entry DOI: 10.7270/Q2ZP46VD
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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0.270n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Binding affinity to human NTS1 receptor by radioligand displacement assay


Eur J Med Chem 63: 85-94 (2013)


Article DOI: 10.1016/j.ejmech.2013.01.044
BindingDB Entry DOI: 10.7270/Q2JH3NKC
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50502380
PNG
(CHEMBL4526200)
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(=O)C1CCC(=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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0.280n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at NSTR1 (unknown origin) assessed as inhibitory constant


ACS Med Chem Lett 10: 960-965 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00122
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50240845
PNG
((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells


J Med Chem 56: 9361-5 (2013)


Article DOI: 10.1021/jm401491e
BindingDB Entry DOI: 10.7270/Q2X068H9
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50257185
PNG
((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-5-guanidino-2-...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8/c1-6-23(4)31(35(56)49-29(37(58)59)20-22(2)3)50-33(54)28(21-24-13-15-25(52)16-14-24)48-34(55)30-12-9-19-51(30)36(57)27(11-8-18-46-39(42)43)47-32(53)26(44-5)10-7-17-45-38(40)41/h13-16,22-23,26-31,44,52H,6-12,17-21H2,1-5H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H4,40,41,45)(H4,42,43,46)/t23-,26+,27+,28+,29+,30+,31+/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Displacement of [125I]I-Tyr(3)NT from human NTR1


J Med Chem 52: 1803-13 (2009)


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


(Homo sapiens (Human))
BDBM50502376
PNG
(CHEMBL4528687)
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)N(C)C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8.3C2HF3O2/c1-6-23(4)31(34(55)48-28(37(58)59)20-22(2)3)49-32(53)27(21-24-13-15-25(52)16-14-24)47-33(54)29-12-9-19-51(29)36(57)30(11-8-18-46-39(43)44)50(5)35(56)26(40)10-7-17-45-38(41)42;3*3-2(4,5)1(6)7/h13-16,22-23,26-31,52H,6-12,17-21,40H2,1-5H3,(H,47,54)(H,48,55)(H,49,53)(H,58,59)(H4,41,42,45)(H4,43,44,46);3*(H,6,7)/t23-,26-,27-,28-,29-,30-,31-;;;/m0.../s1
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0.290n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter


ACS Med Chem Lett 10: 960-965 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00122
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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0.330n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter


ACS Med Chem Lett 10: 960-965 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00122
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50159205
PNG
(CHEMBL3785233)
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](CCCN\C(N)=N/C(=O)NCCOCCOCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C45H78N14O11.4C2HF3O2/c1-5-28(4)36(40(64)56-34(42(66)67)25-27(2)3)57-38(62)33(26-29-12-14-30(60)15-13-29)55-39(63)35-11-8-20-59(35)41(65)32(54-37(61)31(47)9-6-17-51-43(48)49)10-7-18-52-44(50)58-45(68)53-19-22-70-24-23-69-21-16-46;4*3-2(4,5)1(6)7/h12-15,27-28,31-36,60H,5-11,16-26,46-47H2,1-4H3,(H,54,61)(H,55,63)(H,56,64)(H,57,62)(H,66,67)(H4,48,49,51)(H4,50,52,53,58,68);4*(H,6,7)/t28-,31-,32-,33-,34-,35-,36-;;;;/m0..../s1
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0.360n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
BDBM50159164
PNG
(CHEMBL3787200)
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)NCCOCCOCCNC(=O)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C48H82N14O12.3C2HF3O2/c1-6-30(5)39(43(68)59-36(45(70)71)27-29(3)4)60-41(66)35(28-31-14-16-32(63)17-15-31)58-42(67)37-13-10-22-62(37)44(69)34(12-9-18-54-46(50)51)57-40(65)33(49)11-8-19-55-47(52)61-48(72)56-21-24-74-26-25-73-23-20-53-38(64)7-2;3*3-2(4,5)1(6)7/h14-17,29-30,33-37,39,63H,6-13,18-28,49H2,1-5H3,(H,53,64)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,70,71)(H4,50,51,54)(H4,52,55,56,61,72);3*(H,6,7)/t30-,33-,34-,35-,36-,37-,39-;;;/m0.../s1
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0.410n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
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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0.470n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
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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0.470n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
BDBM50509512
PNG
(CHEMBL4579623)
Show SMILES [3H]CC([3H])C(=O)NCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H78N14O10/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/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)/t28-,31-,32-,33-,34-,35-,37-/m0/s1/i2T,7T/t7?,28-,31-,32-,33-,34-,35-,37-
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0.510n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1


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


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


(Homo sapiens (Human))
BDBM50263386
PNG
(CHEMBL443967 | H-Arg-N-Me-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](CCCN=C(N)N)N(C)C(=O)[C@@H](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)31(34(55)48-28(37(58)59)20-22(2)3)49-32(53)27(21-24-13-15-25(52)16-14-24)47-33(54)29-12-9-19-51(29)36(57)30(11-8-18-46-39(43)44)50(5)35(56)26(40)10-7-17-45-38(41)42/h13-16,22-23,26-31,52H,6-12,17-21,40H2,1-5H3,(H,47,54)(H,48,55)(H,49,53)(H,58,59)(H4,41,42,45)(H4,43,44,46)/t23-,26-,27-,28-,29-,30-,31-/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT(8-13) from wild type human NTR1 expressed in HEK293 cells


Bioorg Med Chem 16: 9359-68 (2008)


Article DOI: 10.1016/j.bmc.2008.08.051
BindingDB Entry DOI: 10.7270/Q2VT1T0Z
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50159212
PNG
(CHEMBL3786771)
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](CCCN\C(N)=N/C(=O)NCCOCCOCCNC(=O)CC)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C48H82N14O12.3C2HF3O2/c1-6-30(5)39(43(68)59-36(45(70)71)27-29(3)4)60-41(66)35(28-31-14-16-32(63)17-15-31)58-42(67)37-13-10-22-62(37)44(69)34(57-40(65)33(49)11-8-18-54-46(50)51)12-9-19-55-47(52)61-48(72)56-21-24-74-26-25-73-23-20-53-38(64)7-2;3*3-2(4,5)1(6)7/h14-17,29-30,33-37,39,63H,6-13,18-28,49H2,1-5H3,(H,53,64)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,70,71)(H4,50,51,54)(H4,52,55,56,61,72);3*(H,6,7)/t30-,33-,34-,35-,36-,37-,39-;;;/m0.../s1
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0.590n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
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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0.610n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO 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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50159156
PNG
(CHEMBL3786291)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN\C(N)=N\C(=O)NCCCCNC(=O)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C46H78N14O10.3C2HF3O2/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2;3*3-2(4,5)1(6)7/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70);3*(H,6,7)/t28-,31-,32-,33-,34-,35-,37-;;;/m0.../s1
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0.630n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from human NTSR1 transfec...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
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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0.630n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]NT(8-13) from wild type human NTR1 expressed in HEK293 cells


Bioorg Med Chem 16: 9359-68 (2008)


Article DOI: 10.1016/j.bmc.2008.08.051
BindingDB Entry DOI: 10.7270/Q2VT1T0Z
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50159155
PNG
(CHEMBL3786852)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCN\C(N)=N\C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C43H74N14O9.4C2HF3O2/c1-5-26(4)34(38(62)54-32(40(64)65)23-25(2)3)55-36(60)31(24-27-14-16-28(58)17-15-27)53-37(61)33-13-10-22-57(33)39(63)30(12-9-20-49-41(46)47)52-35(59)29(45)11-8-21-50-42(48)56-43(66)51-19-7-6-18-44;4*3-2(4,5)1(6)7/h14-17,25-26,29-34,58H,5-13,18-24,44-45H2,1-4H3,(H,52,59)(H,53,61)(H,54,62)(H,55,60)(H,64,65)(H4,46,47,49)(H4,48,50,51,56,66);4*(H,6,7)/t26-,29-,30-,31-,32-,33-,34-;;;;/m0..../s1
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0.690n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from human NTSR1 transfec...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
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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0.730n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Displacement of [125I]I-Tyr(3)NT from human NTR1


J Med Chem 52: 1803-13 (2009)


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


(Homo sapiens (Human))
BDBM50509515
PNG
(CHEMBL4463399)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C64H97N15O11.4C2HF3O2/c1-9-42(4)55(59(84)74-53(61(86)87)37-41(2)3)75-57(82)52(40-46-22-26-49(80)27-23-46)73-58(83)54-19-14-31-79(54)60(85)51(18-13-28-69-62(66)67)72-56(81)50(65)17-12-29-70-63(68)76-64(88)71-30-33-89-35-36-90-34-32-78-43(5)38-47(39-44(78)6)16-11-10-15-45-20-24-48(25-21-45)77(7)8;4*3-2(4,5)1(6)7/h10-11,15-16,20-27,38-39,41-42,50-55H,9,12-14,17-19,28-37,40,65H2,1-8H3,(H13-,66,67,68,69,70,71,72,73,74,75,76,80,81,82,83,84,86,87,88);4*(H,6,7)/t42-,50-,51-,52-,53-,54-,55-;;;;/m0..../s1
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0.759n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...


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


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


(Homo sapiens (Human))
BDBM50502382
PNG
(CHEMBL4567709)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(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/C39H66N12O8.3C2HF3O2/c1-22(2)20-28(36(58)59)49-34(56)30(39(3,4)5)50-32(54)27(21-23-13-15-24(52)16-14-23)48-33(55)29-12-9-19-51(29)35(57)26(11-8-18-46-38(42)43)47-31(53)25(44-6)10-7-17-45-37(40)41;3*3-2(4,5)1(6)7/h13-16,22,25-30,44,52H,7-12,17-21H2,1-6H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H4,40,41,45)(H4,42,43,46);3*(H,6,7)/t25-,26-,27-,28-,29-,30+;;;/m0.../s1
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0.880n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter


ACS Med Chem Lett 10: 960-965 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00122
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50443382
PNG
(CHEMBL3086356)
Show SMILES COc1cccc(OC)c1-c1cc(nn1-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)CCCCc1cn(nn1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F)C(=O)NC1(C2CC3CC(C2)CC1C3)C(O)=O
Show InChI InChI=1S/C50H67FN8O10/c1-28(2)35-24-31(47(64)57(4)18-10-17-56(3)16-8-7-11-34-26-58(55-53-34)48-43(51)45(62)44(61)41(27-60)69-48)14-15-37(35)59-38(42-39(67-5)12-9-13-40(42)68-6)25-36(54-59)46(63)52-50(49(65)66)32-20-29-19-30(22-32)23-33(50)21-29/h9,12-15,24-26,28-30,32-33,41,43-45,48,60-62H,7-8,10-11,16-23,27H2,1-6H3,(H,52,63)(H,65,66)/t29?,30?,32?,33?,41-,43-,44-,45-,48-,50?/m1/s1
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0.980n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells


J Med Chem 56: 9361-5 (2013)


Article DOI: 10.1021/jm401491e
BindingDB Entry DOI: 10.7270/Q2X068H9
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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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1n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells


J Med Chem 56: 9361-5 (2013)


Article DOI: 10.1021/jm401491e
BindingDB Entry DOI: 10.7270/Q2X068H9
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50502379
PNG
(CHEMBL4544373)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CC)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C41H68N12O9.2C2HF3O2/c1-6-24(5)33(37(59)51-30(39(61)62)21-23(3)4)52-35(57)29(22-25-14-16-26(54)17-15-25)50-36(58)31-13-10-20-53(31)38(60)28(12-9-19-47-41(44)45)49-34(56)27(48-32(55)7-2)11-8-18-46-40(42)43;2*3-2(4,5)1(6)7/h14-17,23-24,27-31,33,54H,6-13,18-22H2,1-5H3,(H,48,55)(H,49,56)(H,50,58)(H,51,59)(H,52,57)(H,61,62)(H4,42,43,46)(H4,44,45,47);2*(H,6,7)/t24-,27-,28-,29-,30-,31-,33-;;/m0../s1
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1n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter


ACS Med Chem Lett 10: 960-965 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00122
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50240845
PNG
((S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Amin...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25+,26+,27+,28+,29+,30+/m1/s1
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1.05n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Displacement of [125I]I-Tyr(3)NT from human NTR1


J Med Chem 52: 1803-13 (2009)


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


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS1 receptor expressed in CHOK1 cell membranes after 30 mins by gamma counting analysis


J Med Chem 60: 3303-3313 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01848
BindingDB Entry DOI: 10.7270/Q2377C6V
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(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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1.10n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Binding affinity to human neurotensin receptor 1


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


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


(Homo sapiens (Human))
BDBM50502375
PNG
(CHEMBL4452276)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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](N)CCCNC(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8.3C2HF3O2/c1-21(2)19-27(35(57)58)48-33(55)29(38(3,4)5)49-31(53)26(20-22-12-14-23(51)15-13-22)47-32(54)28-11-8-18-50(28)34(56)25(10-7-17-45-37(42)43)46-30(52)24(39)9-6-16-44-36(40)41;3*3-2(4,5)1(6)7/h12-15,21,24-29,51H,6-11,16-20,39H2,1-5H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45);3*(H,6,7)/t24-,25-,26-,27-,28-,29+;;;/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]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter


ACS Med Chem Lett 10: 960-965 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00122
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50509515
PNG
(CHEMBL4463399)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C64H97N15O11.4C2HF3O2/c1-9-42(4)55(59(84)74-53(61(86)87)37-41(2)3)75-57(82)52(40-46-22-26-49(80)27-23-46)73-58(83)54-19-14-31-79(54)60(85)51(18-13-28-69-62(66)67)72-56(81)50(65)17-12-29-70-63(68)76-64(88)71-30-33-89-35-36-90-34-32-78-43(5)38-47(39-44(78)6)16-11-10-15-45-20-24-48(25-21-45)77(7)8;4*3-2(4,5)1(6)7/h10-11,15-16,20-27,38-39,41-42,50-55H,9,12-14,17-19,28-37,40,65H2,1-8H3,(H13-,66,67,68,69,70,71,72,73,74,75,76,80,81,82,83,84,86,87,88);4*(H,6,7)/t42-,50-,51-,52-,53-,54-,55-;;;;/m0..../s1
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1.30n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...


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


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


(Homo sapiens (Human))
BDBM50509511
PNG
(CHEMBL4457798)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1
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1.30n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...


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


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


(Homo sapiens (Human))
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Displacement of [125I]Tyr3-neurotensin from human NTS1 receptor expressed in CHOK1 cell membranes after 60 mins by gamma counting analysis


J Med Chem 61: 7103-7115 (2018)


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


(Homo sapiens (Human))
BDBM50509511
PNG
(CHEMBL4457798)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1
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1.40n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun...


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


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


(Homo sapiens (Human))
BDBM50509513
PNG
(CHEMBL4537266)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1
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1.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation...


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


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


(Homo sapiens (Human))
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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1.60n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO 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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50502378
PNG
(CHEMBL4541665)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)N(C)C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C39H66N12O8.3C2HF3O2/c1-22(2)20-27(36(58)59)48-33(55)30(39(3,4)5)49-31(53)26(21-23-13-15-24(52)16-14-23)47-32(54)28-12-9-19-51(28)35(57)29(11-8-18-46-38(43)44)50(6)34(56)25(40)10-7-17-45-37(41)42;3*3-2(4,5)1(6)7/h13-16,22,25-30,52H,7-12,17-21,40H2,1-6H3,(H,47,54)(H,48,55)(H,49,53)(H,58,59)(H4,41,42,45)(H4,43,44,46);3*(H,6,7)/t25-,26-,27-,28-,29-,30+;;;/m0.../s1
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1.60n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter


ACS Med Chem Lett 10: 960-965 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00122
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130880
PNG
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1
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Article
PubMed
1.64n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Displacement of [125I]I-Tyr(3)NT from human NTR1


J Med Chem 52: 1803-13 (2009)


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


(Homo sapiens (Human))
BDBM50159183
PNG
(CHEMBL3787095)
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)CCCCC[n+]1cc(ccc1\C=C\c1cc2ccc(cc2oc1=O)N(CC)CC)S([O-])(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C69H102N16O15S.3C2HF3O2/c1-7-44(6)59(63(91)80-55(65(93)94)38-43(4)5)81-61(89)54(39-45-22-29-50(86)30-23-45)79-62(90)56-20-17-37-85(56)64(92)53(19-16-34-75-67(71)72)78-60(88)52(70)18-15-35-76-68(73)82-69(96)77-33-13-12-32-74-58(87)21-11-10-14-36-84-42-51(101(97,98)99)31-28-48(84)26-25-47-40-46-24-27-49(83(8-2)9-3)41-57(46)100-66(47)95;3*3-2(4,5)1(6)7/h22-31,40-44,52-56,59H,7-21,32-39,70H2,1-6H3,(H15-,71,72,73,74,75,76,77,78,79,80,81,82,86,87,88,89,90,91,93,94,96,97,98,99);3*(H,6,7)/t44-,52-,53-,54-,55-,56-,59-;;;/m0.../s1
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1.70n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from NTSR1 in human HT-29...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
BDBM50159212
PNG
(CHEMBL3786771)
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](CCCN\C(N)=N/C(=O)NCCOCCOCCNC(=O)CC)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C48H82N14O12.3C2HF3O2/c1-6-30(5)39(43(68)59-36(45(70)71)27-29(3)4)60-41(66)35(28-31-14-16-32(63)17-15-31)58-42(67)37-13-10-22-62(37)44(69)34(57-40(65)33(49)11-8-18-54-46(50)51)12-9-19-55-47(52)61-48(72)56-21-24-74-26-25-73-23-20-53-38(64)7-2;3*3-2(4,5)1(6)7/h14-17,29-30,33-37,39,63H,6-13,18-28,49H2,1-5H3,(H,53,64)(H,57,65)(H,58,67)(H,59,68)(H,60,66)(H,70,71)(H4,50,51,54)(H4,52,55,56,61,72);3*(H,6,7)/t30-,33-,34-,35-,36-,37-,39-;;;/m0.../s1
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1.70n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]-{Nomega-[N-(4-propanoylaminobutyl)aminocarbonyl]}Arg-Arg-ProTyr-Ile-Leu-OH Tris(hydrotrifluoroacetate) from human NTSR1 transfec...


J Med Chem 59: 1925-45 (2016)


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


(Homo sapiens (Human))
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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1.81n/an/an/an/an/an/an/an/a



Medical University of South Carolina

Curated by ChEMBL


Assay Description
Displacement of [125I]I-Tyr(3)NT from human NTR1


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
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