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PubMed code 28032980

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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 type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218812
PNG
(NTSR-H4 inhibitor, 2)
Show SMILES COC(=O)Nc1cccc(NC(=O)CC(C(O)=O)c2ccccc2)c1
Show InChI InChI=1S/C18H18N2O5/c1-25-18(24)20-14-9-5-8-13(10-14)19-16(21)11-15(17(22)23)12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H,19,21)(H,20,24)(H,22,23)
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n/an/an/a 2.80E+3n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218815
PNG
(NTSR-H4 inhibitor, 5)
Show SMILES OC(=O)[C@H](Cc1ccncc1)NC(=O)c1cccc(Cn2cccn2)c1 |r|
Show InChI InChI=1S/C19H18N4O3/c24-18(22-17(19(25)26)12-14-5-8-20-9-6-14)16-4-1-3-15(11-16)13-23-10-2-7-21-23/h1-11,17H,12-13H2,(H,22,24)(H,25,26)/t17-/m0/s1
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n/an/an/a 4.20E+4n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218814
PNG
(NTSR-H4 inhibitor, 4)
Show SMILES COc1ccc(cc1)C(C)C(=O)NC[C@H](C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H21NO4/c1-13(14-8-10-16(24-2)11-9-14)18(21)20-12-17(19(22)23)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t13?,17-/m0/s1
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n/an/an/a 1.76E+4n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM85050
PNG
(CAS_184162-64-9 | SR 142948A | SR142948 | SR142948...)
Show SMILES [H]C12CC3([H])CC([H])(C1)C(NC(=O)c1cc(-c4c(OC)cccc4OC)n(n1)-c1ccc(cc1C(C)C)C(=O)N(C)CCCN(C)C)(C(O)=O)C([H])(C2)C3 |TLB:8:6:53:1.52.2,8:1:6.9.5:53,10:9:3.5.53:1.8.52,THB:47:9:3.5.53:1.8.52,47:9:53:1.52.2,2:1:9:3.5.53,10:9:53:1.52.2,(4.26,2.59,;4.59,4.1,;3.08,4.03,;4.37,4.77,;5.38,3.61,;5.66,4.3,;6.94,4.77,;8.42,4.31,;5.99,3.36,;6.94,6.26,;8.48,6.12,;9.13,4.73,;8.25,3.46,;10.66,4.59,;11.67,5.75,;13.09,5.15,;14.41,5.94,;15.76,5.2,;16.31,3.76,;17.83,3.52,;17.08,5.99,;17.05,7.53,;15.7,8.28,;14.38,7.48,;13.04,8.23,;13.01,9.77,;12.96,3.62,;11.46,3.27,;13.7,2.27,;15.24,2.24,;15.99,.9,;15.2,-.42,;13.66,-.4,;12.91,.95,;11.37,.98,;10.58,-.34,;10.62,2.32,;15.94,-1.77,;17.48,-1.8,;15.15,-3.09,;13.61,-3.06,;15.9,-4.44,;15.1,-5.76,;15.85,-7.1,;15.06,-8.42,;15.8,-9.77,;13.52,-8.4,;7.34,7.74,;6.25,8.83,;8.6,8.63,;5.66,7,;5.66,8.54,;4.59,5.71,;4.37,6.26,)|
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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n/an/an/a 0.400n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218813
PNG
(NTSR-H4 inhibitor, 3)
Show SMILES OC(=O)[C@@H](CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 |r|
Show InChI InChI=1S/C16H12F3NO3/c17-11-6-7-12(15(19)14(11)18)20-13(21)8-10(16(22)23)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,20,21)(H,22,23)/t10-/m0/s1
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n/an/an/a 1.90E+3n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218815
PNG
(NTSR-H4 inhibitor, 5)
Show SMILES OC(=O)[C@H](Cc1ccncc1)NC(=O)c1cccc(Cn2cccn2)c1 |r|
Show InChI InChI=1S/C19H18N4O3/c24-18(22-17(19(25)26)12-14-5-8-20-9-6-14)16-4-1-3-15(11-16)13-23-10-2-7-21-23/h1-11,17H,12-13H2,(H,22,24)(H,25,26)/t17-/m0/s1
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n/an/an/a 4.15E+4n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218811
PNG
(NTSR-H4 inhibitor, 1)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C14H19ClN2O3/c1-9(2)7-12(13(18)19)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
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n/an/an/a 1.20E+3n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218814
PNG
(NTSR-H4 inhibitor, 4)
Show SMILES COc1ccc(cc1)C(C)C(=O)NC[C@H](C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H21NO4/c1-13(14-8-10-16(24-2)11-9-14)18(21)20-12-17(19(22)23)15-6-4-3-5-7-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t13?,17-/m0/s1
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n/an/an/a 1.80E+4n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218812
PNG
(NTSR-H4 inhibitor, 2)
Show SMILES COC(=O)Nc1cccc(NC(=O)CC(C(O)=O)c2ccccc2)c1
Show InChI InChI=1S/C18H18N2O5/c1-25-18(24)20-14-9-5-8-13(10-14)19-16(21)11-15(17(22)23)12-6-3-2-4-7-12/h2-10,15H,11H2,1H3,(H,19,21)(H,20,24)(H,22,23)
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n/an/an/a 1.60E+3n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218813
PNG
(NTSR-H4 inhibitor, 3)
Show SMILES OC(=O)[C@@H](CC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 |r|
Show InChI InChI=1S/C16H12F3NO3/c17-11-6-7-12(15(19)14(11)18)20-13(21)8-10(16(22)23)9-4-2-1-3-5-9/h1-7,10H,8H2,(H,20,21)(H,22,23)/t10-/m0/s1
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n/an/an/a 2.10E+3n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218811
PNG
(NTSR-H4 inhibitor, 1)
Show SMILES CC(C)C[C@H](NC(=O)NCc1ccccc1Cl)C(O)=O |r|
Show InChI InChI=1S/C14H19ClN2O3/c1-9(2)7-12(13(18)19)17-14(20)16-8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)(H2,16,17,20)/t12-/m0/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
Neurotensin receptor type 1 [45-272,291-390,C386A,C388A]


(Rattus norvegicus (Rat))		BDBM218810
PNG
(NTS8-13)
Show SMILES CC[C@H](C)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)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30?/m0/s1
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n/an/an/a 43n/an/an/an/an/a



Stockholm University



Assay Description
The rat NTSR1 variant NTSR1-H4 was first expressed in E. coli using a derivative of the vector pRG/III-hsMBP. This construct had a C-terminally fused...

ACS Chem Biol 12: 735-745 (2017)


Article DOI: 10.1021/acschembio.6b00646
BindingDB Entry DOI: 10.7270/Q2542MFK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%