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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'fanelli' and Initial = 'r'   
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


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



Universit£ 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
Neurotensin receptor type 2


(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 |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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6.60n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS2 receptor expressed in human 1321N1 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
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM50485783
PNG
(CHEMBL2164408)
Show SMILES CC(C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2c1)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C |r|
Show InChI InChI=1S/C48H76N8O12/c1-27(2)37(41(59)53-55-43(61)39(29(5)6)51-45(63)67-47(9,10)11)49-35(57)17-15-23-65-33-21-19-31-20-22-34(26-32(31)25-33)66-24-16-18-36(58)50-38(28(3)4)42(60)54-56-44(62)40(30(7)8)52-46(64)68-48(12,13)14/h19-22,25-30,37-40H,15-18,23-24H2,1-14H3,(H,49,57)(H,50,58)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t37-,38-,39-,40-/m0/s1
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50n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud 11

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...


J Med Chem 55: 6762-75 (2012)


Article DOI: 10.1021/jm300181j
BindingDB Entry DOI: 10.7270/Q2125WJF
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50265841
PNG
(CHEMBL4100456)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C[Si](C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C35H69N9O7Si/c1-6-23(2)29(33(48)42-27(35(50)51)22-52(3,4)5)43-31(46)25(15-8-11-19-37)40-32(47)28-17-13-21-44(28)34(49)26(16-9-12-20-38)41-30(45)24(39)14-7-10-18-36/h23-29H,6-22,36-39H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)/t23-,24-,25-,26-,27+,28-,29-/m0/s1
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67n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS2 receptor expressed in human 1321N1 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
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM50485784
PNG
(CHEMBL2164407)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2c1)C(C)C)C(C)C |r|
Show InChI InChI=1S/C50H79N7O12/c1-28(2)25-37(44(60)54-43(32(9)10)48(64)66-14)51-45(61)40(29(3)4)52-38(58)17-15-23-67-35-21-19-33-20-22-36(27-34(33)26-35)68-24-16-18-39(59)53-41(30(5)6)46(62)56-57-47(63)42(31(7)8)55-49(65)69-50(11,12)13/h19-22,26-32,37,40-43H,15-18,23-25H2,1-14H3,(H,51,61)(H,52,58)(H,53,59)(H,54,60)(H,55,65)(H,56,62)(H,57,63)/t37-,40-,41-,42-,43-/m0/s1
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90n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud 11

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...


J Med Chem 55: 6762-75 (2012)


Article DOI: 10.1021/jm300181j
BindingDB Entry DOI: 10.7270/Q2125WJF
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM50485785
PNG
(CHEMBL2164409)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NNC(=O)NNC(=O)N[C@@H](C(C)C)C(N)=O)cc2c1)C(C)C)C(C)C |r|
Show InChI InChI=1S/C42H65N9O11/c1-23(2)20-31(38(55)46-36(26(7)8)40(57)60-9)44-39(56)35(25(5)6)45-32(52)12-10-18-61-29-16-14-27-15-17-30(22-28(27)21-29)62-19-11-13-33(53)48-50-42(59)51-49-41(58)47-34(24(3)4)37(43)54/h14-17,21-26,31,34-36H,10-13,18-20H2,1-9H3,(H2,43,54)(H,44,56)(H,45,52)(H,46,55)(H,48,53)(H2,47,49,58)(H2,50,51,59)/t31-,34-,35-,36-/m0/s1
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150n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud 11

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...


J Med Chem 55: 6762-75 (2012)


Article DOI: 10.1021/jm300181j
BindingDB Entry DOI: 10.7270/Q2125WJF
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50265836
PNG
(CHEMBL4084378)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=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 |r|
Show InChI InChI=1S/C35H67N9O7/c1-5-23(4)29(33(48)42-27(35(50)51)21-22(2)3)43-31(46)25(14-7-10-18-37)40-32(47)28-16-12-20-44(28)34(49)26(15-8-11-19-38)41-30(45)24(39)13-6-9-17-36/h22-29H,5-21,36-39H2,1-4H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)/t23-,24-,25-,26-,27-,28-,29-/m0/s1
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262n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS2 receptor expressed in human 1321N1 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
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50265835
PNG
(CHEMBL4076517)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=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 |r|
Show InChI InChI=1S/C35H62N10O7/c1-5-22(4)29(33(49)43-27(35(51)52)17-21(2)3)44-31(47)26(18-23-19-39-20-40-23)42-32(48)28-13-10-16-45(28)34(50)25(12-7-9-15-37)41-30(46)24(38)11-6-8-14-36/h19-22,24-29H,5-18,36-38H2,1-4H3,(H,39,40)(H,41,46)(H,42,48)(H,43,49)(H,44,47)(H,51,52)/t22-,24-,25-,26-,27-,28-,29-/m0/s1
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456n/an/an/an/an/an/an/an/a



Universit£ 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
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50265835
PNG
(CHEMBL4076517)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=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 |r|
Show InChI InChI=1S/C35H62N10O7/c1-5-22(4)29(33(49)43-27(35(51)52)17-21(2)3)44-31(47)26(18-23-19-39-20-40-23)42-32(48)28-13-10-16-45(28)34(50)25(12-7-9-15-37)41-30(46)24(38)11-6-8-14-36/h19-22,24-29H,5-18,36-38H2,1-4H3,(H,39,40)(H,41,46)(H,42,48)(H,43,49)(H,44,47)(H,51,52)/t22-,24-,25-,26-,27-,28-,29-/m0/s1
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474n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS2 receptor expressed in human 1321N1 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
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM50074687
PNG
(2-[2-(2-{4-[7-(3-{1-[1-(1-Methoxycarbonyl-2-methyl...)
Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(C)C)C(C)C
Show InChI InChI=1S/C52H82N6O12/c1-29(2)25-39(47(61)57-45(33(9)10)51(65)67-13)53-49(63)43(31(5)6)55-41(59)17-15-23-69-37-21-19-35-20-22-38(28-36(35)27-37)70-24-16-18-42(60)56-44(32(7)8)50(64)54-40(26-30(3)4)48(62)58-46(34(11)12)52(66)68-14/h19-22,27-34,39-40,43-46H,15-18,23-26H2,1-14H3,(H,53,63)(H,54,64)(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t39-,40-,43-,44-,45-,46-/m0/s1
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560n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud 11

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...


J Med Chem 55: 6762-75 (2012)


Article DOI: 10.1021/jm300181j
BindingDB Entry DOI: 10.7270/Q2125WJF
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50265842
PNG
(CHEMBL4103884)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CCCN)NC(=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 |r|
Show InChI InChI=1S/C34H65N9O7/c1-5-22(4)28(32(47)41-26(34(49)50)20-21(2)3)42-30(45)24(14-10-18-37)39-31(46)27-15-11-19-43(27)33(48)25(13-7-9-17-36)40-29(44)23(38)12-6-8-16-35/h21-28H,5-20,35-38H2,1-4H3,(H,39,46)(H,40,44)(H,41,47)(H,42,45)(H,49,50)/t22-,23-,24?,25-,26-,27-,28-/m0/s1
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620n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS2 receptor expressed in human 1321N1 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
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50265841
PNG
(CHEMBL4100456)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@H](C[Si](C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C35H69N9O7Si/c1-6-23(2)29(33(48)42-27(35(50)51)22-52(3,4)5)43-31(46)25(15-8-11-19-37)40-32(47)28-17-13-21-44(28)34(49)26(16-9-12-20-38)41-30(45)24(39)14-7-10-18-36/h23-29H,6-22,36-39H2,1-5H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)/t23-,24-,25-,26-,27+,28-,29-/m0/s1
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663n/an/an/an/an/an/an/an/a



Universit£ 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
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM50485786
PNG
(CHEMBL2164074)
Show SMILES CC(C)[C@H](NC(=O)NNC(=O)NNC(=O)CCCOc1ccc2ccc(OCCCC(=O)NNC(=O)NNC(=O)N[C@@H](C(C)C)C(N)=O)cc2c1)C(N)=O |r|
Show InChI InChI=1S/C32H48N12O10/c1-17(2)25(27(33)47)35-29(49)39-43-31(51)41-37-23(45)7-5-13-53-21-11-9-19-10-12-22(16-20(19)15-21)54-14-6-8-24(46)38-42-32(52)44-40-30(50)36-26(18(3)4)28(34)48/h9-12,15-18,25-26H,5-8,13-14H2,1-4H3,(H2,33,47)(H2,34,48)(H,37,45)(H,38,46)(H2,35,39,49)(H2,36,40,50)(H2,41,43,51)(H2,42,44,52)/t25-,26-/m0/s1
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700n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud 11

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...


J Med Chem 55: 6762-75 (2012)


Article DOI: 10.1021/jm300181j
BindingDB Entry DOI: 10.7270/Q2125WJF
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50265833
PNG
(CHEMBL4082440)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=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 |r|
Show InChI InChI=1S/C34H62N8O9/c1-5-21(4)28(32(48)40-25(34(50)51)19-20(2)3)41-30(46)23(14-15-27(43)44)38-31(47)26-13-10-18-42(26)33(49)24(12-7-9-17-36)39-29(45)22(37)11-6-8-16-35/h20-26,28H,5-19,35-37H2,1-4H3,(H,38,47)(H,39,45)(H,40,48)(H,41,46)(H,43,44)(H,50,51)/t21-,22-,23-,24-,25-,26-,28-/m0/s1
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1.60E+3n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS2 receptor expressed in human 1321N1 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
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50265834
PNG
(CHEMBL4074624)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=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 |r|
Show InChI InChI=1S/C33H60N8O9/c1-5-20(4)27(31(47)39-24(33(49)50)17-19(2)3)40-29(45)23(18-26(42)43)38-30(46)25-13-10-16-41(25)32(48)22(12-7-9-15-35)37-28(44)21(36)11-6-8-14-34/h19-25,27H,5-18,34-36H2,1-4H3,(H,37,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)(H,49,50)/t20-,21-,22-,23-,24-,25-,27-/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS2 receptor expressed in human 1321N1 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
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50265836
PNG
(CHEMBL4084378)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=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 |r|
Show InChI InChI=1S/C35H67N9O7/c1-5-23(4)29(33(48)42-27(35(50)51)21-22(2)3)43-31(46)25(14-7-10-18-37)40-32(47)28-16-12-20-44(28)34(49)26(15-8-11-19-38)41-30(45)24(39)13-6-9-17-36/h22-29H,5-21,36-39H2,1-4H3,(H,40,47)(H,41,45)(H,42,48)(H,43,46)(H,50,51)/t23-,24-,25-,26-,27-,28-,29-/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Universit£ 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
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50265833
PNG
(CHEMBL4082440)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=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 |r|
Show InChI InChI=1S/C34H62N8O9/c1-5-21(4)28(32(48)40-25(34(50)51)19-20(2)3)41-30(46)23(14-15-27(43)44)38-31(47)26-13-10-18-42(26)33(49)24(12-7-9-17-36)39-29(45)22(37)11-6-8-16-35/h20-26,28H,5-19,35-37H2,1-4H3,(H,38,47)(H,39,45)(H,40,48)(H,41,46)(H,43,44)(H,50,51)/t21-,22-,23-,24-,25-,26-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ 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
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50265842
PNG
(CHEMBL4103884)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CCCN)NC(=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 |r|
Show InChI InChI=1S/C34H65N9O7/c1-5-22(4)28(32(47)41-26(34(49)50)20-21(2)3)42-30(45)24(14-10-18-37)39-31(46)27-15-11-19-43(27)33(48)25(13-7-9-17-36)40-29(44)23(38)12-6-8-16-35/h21-28H,5-20,35-38H2,1-4H3,(H,39,46)(H,40,44)(H,41,47)(H,42,45)(H,49,50)/t22-,23-,24?,25-,26-,27-,28-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ 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
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50265834
PNG
(CHEMBL4074624)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=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 |r|
Show InChI InChI=1S/C33H60N8O9/c1-5-20(4)27(31(47)39-24(33(49)50)17-19(2)3)40-29(45)23(18-26(42)43)38-30(46)25-13-10-16-41(25)32(48)22(12-7-9-15-35)37-28(44)21(36)11-6-8-14-34/h19-25,27H,5-18,34-36H2,1-4H3,(H,37,44)(H,38,46)(H,39,47)(H,40,45)(H,42,43)(H,49,50)/t20-,21-,22-,23-,24-,25-,27-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ 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
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124132
PNG
(CHEMBL3622802)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-6-24(2)32(36(51)44-30(38(53)54)23-55(3,4)5)45-34(49)29(22-25-15-17-26(47)18-16-25)43-35(50)31-14-11-21-46(31)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,24,27-32,47H,6-14,19-23,39-41H2,1-5H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell membranes incubated for 30 mins by gamma-counting based competitive r...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124132
PNG
(CHEMBL3622802)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-6-24(2)32(36(51)44-30(38(53)54)23-55(3,4)5)45-34(49)29(22-25-15-17-26(47)18-16-25)43-35(50)31-14-11-21-46(31)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,24,27-32,47H,6-14,19-23,39-41H2,1-5H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50342242
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N8O8/c1-5-24(4)32(36(51)44-30(38(53)54)21-23(2)3)45-34(49)29(22-25-14-16-26(47)17-15-25)43-35(50)31-13-10-20-46(31)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,23-24,27-32,47H,5-13,18-22,39-41H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.330n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS1 receptor


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
Neurotensin receptor type 1


(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 |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/a 0.820n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell membranes incubated for 30 mins by gamma-counting based competitive r...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50342242
PNG
((S)-2-((2S,3S)-2-((S)-2-((S)-1-((S)-6-amino-2-((S)...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C38H64N8O8/c1-5-24(4)32(36(51)44-30(38(53)54)21-23(2)3)45-34(49)29(22-25-14-16-26(47)17-15-25)43-35(50)31-13-10-20-46(31)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,23-24,27-32,47H,5-13,18-22,39-41H2,1-4H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 0.950n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of 125I-[Tyr3]-NT from human NTS2 receptor


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
Neurotensin receptor type 2


(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 |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/a 7.5n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124135
PNG
(CHEMBL3622803)
Show SMILES C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H68N8O8Si2/c1-55(2,3)23-30(35(50)45-31(38(53)54)24-56(4,5)6)44-34(49)29(22-25-15-17-26(47)18-16-25)43-36(51)32-14-11-21-46(32)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,27-32,47H,7-14,19-24,39-41H2,1-6H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell membranes incubated for 30 mins by gamma-counting based competitive r...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124143
PNG
(CHEMBL3622806)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N8O8Si/c1-7-25(4)33(37(52)45-31(39(54)55)20-24(2)3)46-35(50)30(21-26-14-16-27(48)17-15-26)44-36(51)32-22-56(5,6)23-47(32)38(53)29(13-9-11-19-41)43-34(49)28(42)12-8-10-18-40/h14-17,24-25,28-33,48H,7-13,18-23,40-42H2,1-6H3,(H,43,49)(H,44,51)(H,45,52)(H,46,50)(H,54,55)/t25-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell membranes incubated for 30 mins by gamma-counting based competitive r...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124143
PNG
(CHEMBL3622806)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N8O8Si/c1-7-25(4)33(37(52)45-31(39(54)55)20-24(2)3)46-35(50)30(21-26-14-16-27(48)17-15-26)44-36(51)32-22-56(5,6)23-47(32)38(53)29(13-9-11-19-41)43-34(49)28(42)12-8-10-18-40/h14-17,24-25,28-33,48H,7-13,18-23,40-42H2,1-6H3,(H,43,49)(H,44,51)(H,45,52)(H,46,50)(H,54,55)/t25-,28-,29-,30-,31-,32-,33-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124135
PNG
(CHEMBL3622803)
Show SMILES C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H68N8O8Si2/c1-55(2,3)23-30(35(50)45-31(38(53)54)24-56(4,5)6)44-34(49)29(22-25-15-17-26(47)18-16-25)43-36(51)32-14-11-21-46(32)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,27-32,47H,7-14,19-24,39-41H2,1-6H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124141
PNG
(CHEMBL3622805)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N10O8Si/c1-24(2)21-30(38(56)57)47-35(53)31(23-58(4,5)6)48-34(52)29(22-25-14-16-26(50)17-15-25)46-36(54)32-13-10-20-49(32)37(55)28(11-7-8-18-40)45-33(51)27(43-3)12-9-19-44-39(41)42/h14-17,24,27-32,43,50H,7-13,18-23,40H2,1-6H3,(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)(H4,41,42,44)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell membranes incubated for 30 mins by gamma-counting based competitive r...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124141
PNG
(CHEMBL3622805)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N10O8Si/c1-24(2)21-30(38(56)57)47-35(53)31(23-58(4,5)6)48-34(52)29(22-25-14-16-26(50)17-15-25)46-36(54)32-13-10-20-49(32)37(55)28(11-7-8-18-40)45-33(51)27(43-3)12-9-19-44-39(41)42/h14-17,24,27-32,43,50H,7-13,18-23,40H2,1-6H3,(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)(H4,41,42,44)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 246n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell membranes incubated for 30 mins by gamma-counting based competitive r...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/a 405n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124138
PNG
(CHEMBL3622804)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCCN)C(O)=O |r|
Show InChI InChI=1S/C40H72N8O8Si2/c1-26(2)21-32(40(55)56)46-37(52)33(23-57(3,4)5)47-36(51)31(22-27-15-17-28(49)18-16-27)45-38(53)34-24-58(6,7)25-48(34)39(54)30(14-10-12-20-42)44-35(50)29(43)13-9-8-11-19-41/h15-18,26,29-34,49H,8-14,19-25,41-43H2,1-7H3,(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 968n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS1 receptor expressed in CHOK1 cell membranes incubated for 30 mins by gamma-counting based competitive r...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 2


(Homo sapiens (Human))
BDBM50124138
PNG
(CHEMBL3622804)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCCN)C(O)=O |r|
Show InChI InChI=1S/C40H72N8O8Si2/c1-26(2)21-32(40(55)56)46-37(52)33(23-57(3,4)5)47-36(51)31(22-27-15-17-28(49)18-16-27)45-38(53)34-24-58(6,7)25-48(34)39(54)30(14-10-12-20-42)44-35(50)29(43)13-9-8-11-19-41/h15-18,26,29-34,49H,8-14,19-25,41-43H2,1-7H3,(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/a 1.43E+3n/an/an/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-Tyr3-NT from human NTS2 receptor expressed in 1321N1 cell membranes incubated for 30 mins by gamma-counting based competitive ...


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


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



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124141
PNG
(CHEMBL3622805)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N10O8Si/c1-24(2)21-30(38(56)57)47-35(53)31(23-58(4,5)6)48-34(52)29(22-25-14-16-26(50)17-15-25)46-36(54)32-13-10-20-49(32)37(55)28(11-7-8-18-40)45-33(51)27(43-3)12-9-19-44-39(41)42/h14-17,24,27-32,43,50H,7-13,18-23,40H2,1-6H3,(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)(H4,41,42,44)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 204n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124138
PNG
(CHEMBL3622804)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCCN)C(O)=O |r|
Show InChI InChI=1S/C40H72N8O8Si2/c1-26(2)21-32(40(55)56)46-37(52)33(23-57(3,4)5)47-36(51)31(22-27-15-17-28(49)18-16-27)45-38(53)34-24-58(6,7)25-48(34)39(54)30(14-10-12-20-42)44-35(50)29(43)13-9-8-11-19-41/h15-18,26,29-34,49H,8-14,19-25,41-43H2,1-7H3,(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124135
PNG
(CHEMBL3622803)
Show SMILES C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H68N8O8Si2/c1-55(2,3)23-30(35(50)45-31(38(53)54)24-56(4,5)6)44-34(49)29(22-25-15-17-26(47)18-16-25)43-36(51)32-14-11-21-46(32)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,27-32,47H,7-14,19-24,39-41H2,1-6H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 11n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124132
PNG
(CHEMBL3622802)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-6-24(2)32(36(51)44-30(38(53)54)23-55(3,4)5)45-34(49)29(22-25-15-17-26(47)18-16-25)43-35(50)31-14-11-21-46(31)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,24,27-32,47H,6-14,19-23,39-41H2,1-5H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 169n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


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



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50124141
PNG
(CHEMBL3622805)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N10O8Si/c1-24(2)21-30(38(56)57)47-35(53)31(23-58(4,5)6)48-34(52)29(22-25-14-16-26(50)17-15-25)46-36(54)32-13-10-20-49(32)37(55)28(11-7-8-18-40)45-33(51)27(43-3)12-9-19-44-39(41)42/h14-17,24,27-32,43,50H,7-13,18-23,40H2,1-6H3,(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)(H4,41,42,44)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124135
PNG
(CHEMBL3622803)
Show SMILES C[Si](C)(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H68N8O8Si2/c1-55(2,3)23-30(35(50)45-31(38(53)54)24-56(4,5)6)44-34(49)29(22-25-15-17-26(47)18-16-25)43-36(51)32-14-11-21-46(32)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,27-32,47H,7-14,19-24,39-41H2,1-6H3,(H,42,48)(H,43,51)(H,44,49)(H,45,50)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 0.340n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124138
PNG
(CHEMBL3622804)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[Si](C)(C)CN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCCN)C(O)=O |r|
Show InChI InChI=1S/C40H72N8O8Si2/c1-26(2)21-32(40(55)56)46-37(52)33(23-57(3,4)5)47-36(51)31(22-27-15-17-28(49)18-16-27)45-38(53)34-24-58(6,7)25-48(34)39(54)30(14-10-12-20-42)44-35(50)29(43)13-9-8-11-19-41/h15-18,26,29-34,49H,8-14,19-25,41-43H2,1-7H3,(H,44,50)(H,45,53)(H,46,52)(H,47,51)(H,55,56)/t29-,30-,31-,32-,33-,34-/m0/s1
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n/an/an/an/a>1.00E+3n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Homo sapiens (Human))
BDBM50124141
PNG
(CHEMBL3622805)
Show SMILES CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C[Si](C)(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C39H68N10O8Si/c1-24(2)21-30(38(56)57)47-35(53)31(23-58(4,5)6)48-34(52)29(22-25-14-16-26(50)17-15-25)46-36(54)32-13-10-20-49(32)37(55)28(11-7-8-18-40)45-33(51)27(43-3)12-9-19-44-39(41)42/h14-17,24,27-32,43,50H,7-13,18-23,40H2,1-6H3,(H,45,51)(H,46,54)(H,47,53)(H,48,52)(H,56,57)(H4,41,42,44)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 4.20n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50048908
PNG
(CHEMBL415788)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |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/an/a 1.30n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50124146
PNG
(CHEMBL3622801)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C[Si](C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-24(2)21-30(38(53)54)44-35(50)31(23-55(3,4)5)45-34(49)29(22-25-14-16-26(47)17-15-25)43-36(51)32-13-10-20-46(32)37(52)28(12-7-9-19-40)42-33(48)27(41)11-6-8-18-39/h14-17,24,27-32,47H,6-13,18-23,39-41H2,1-5H3,(H,42,48)(H,43,51)(H,44,50)(H,45,49)(H,53,54)/t27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
Neurotensin receptor type 1


(Rattus norvegicus)
BDBM50124132
PNG
(CHEMBL3622802)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](C[Si](C)(C)C)C(O)=O |r|
Show InChI InChI=1S/C38H66N8O8Si/c1-6-24(2)32(36(51)44-30(38(53)54)23-55(3,4)5)45-34(49)29(22-25-15-17-26(47)18-16-25)43-35(50)31-14-11-21-46(31)37(52)28(13-8-10-20-40)42-33(48)27(41)12-7-9-19-39/h15-18,24,27-32,47H,6-14,19-23,39-41H2,1-5H3,(H,42,48)(H,43,50)(H,44,51)(H,45,49)(H,53,54)/t24-,27-,28-,29-,30-,31-,32-/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Universit£ Montpellier

Curated by ChEMBL


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


J Med Chem 58: 7785-95 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00841
BindingDB Entry DOI: 10.7270/Q2MW2JZ3
More data for this
Ligand-Target Pair
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