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78 molecules are shown

Compile data set for download or QSAR
Wt: 1469.6
BDBM50130891
Wt: 1471.6
BDBM50130892
Wt: 1497.7
BDBM50130895
Wt: 1443.6
BDBM50130872
Wt: 1455.6
BDBM50130898
Wt: 1443.6
BDBM50130899
Wt: 1427.6
BDBM50130881
Wt: 1192.3
BDBM50130873
Wt: 1483.7
BDBM50130877
Wt: 1443.6
BDBM50130882
Wt: 1457.6
BDBM50130878
Wt: 1511.7
BDBM50130879
Wt: 843.0
BDBM50154966
Wt: 843.0
BDBM50154967
Wt: 843.0
BDBM50154968
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50130891,50130892,50130895,50130872,50130898,50130899,50130881,50130873,50130877,50130882,50130878,50130879,50154966,50154967,50154968   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50154968
PNG
(4-Methyl-2-{(S)-methyl-1-(S)-2-[(S)-2-{(R)-1-[(S)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)N1CC[C@]2(CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C1=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C40H66N12O8/c1-5-24(4)31(34(56)49-29(36(58)59)21-23(2)3)50-33(55)30(22-25-11-13-26(53)14-12-25)51-20-16-40(37(51)60)15-8-19-52(40)35(57)28(10-7-18-47-39(44)45)48-32(54)27(41)9-6-17-46-38(42)43/h11-14,23-24,27-31,53H,5-10,15-22,41H2,1-4H3,(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t24-,27-,28-,29-,30-,31-,40+/m0/s1
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12n/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))
BDBM50154967
PNG
(4-Methyl-2-{(S)-methyl-1-(S)-2-[(R)-2-{(S)-1-[(S)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(Cc1ccc(O)cc1)N1CC[C@@]2(CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C1=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C40H66N12O8/c1-5-24(4)31(34(56)49-29(36(58)59)21-23(2)3)50-33(55)30(22-25-11-13-26(53)14-12-25)51-20-16-40(37(51)60)15-8-19-52(40)35(57)28(10-7-18-47-39(44)45)48-32(54)27(41)9-6-17-46-38(42)43/h11-14,23-24,27-31,53H,5-10,15-22,41H2,1-4H3,(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t24-,27-,28-,29-,30?,31-,40-/m0/s1
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1.40E+4n/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))
BDBM50154966
PNG
(4-Methyl-2-{(S)-methyl-1-(S)-2-[(R)-2-{(R)-1-[(S)-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(Cc1ccc(O)cc1)N1CC[C@]2(CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C1=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C40H66N12O8/c1-5-24(4)31(34(56)49-29(36(58)59)21-23(2)3)50-33(55)30(22-25-11-13-26(53)14-12-25)51-20-16-40(37(51)60)15-8-19-52(40)35(57)28(10-7-18-47-39(44)45)48-32(54)27(41)9-6-17-46-38(42)43/h11-14,23-24,27-31,53H,5-10,15-22,41H2,1-4H3,(H,48,54)(H,49,56)(H,50,55)(H,58,59)(H4,42,43,46)(H4,44,45,47)/t24-,27-,28-,29-,30?,31-,40+/m0/s1
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>1.00E+5n/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))
BDBM50130877
PNG
(CHEMBL407187 | DTPA-DLys-Pro-Gly(PipAm)-Arg-Pro-Ty...)
Show SMILES CC(C)(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](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C(=O)N[C@@H](CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C68H110N18O19/c1-68(2,3)57(62(101)78-48(65(104)105)35-41-12-5-4-6-13-41)80-58(97)47(34-42-18-20-44(87)21-19-42)77-59(98)49-16-10-26-85(49)64(103)46(15-9-25-74-66(70)71)76-61(100)56(43-22-28-84(29-23-43)67(72)73)79-60(99)50-17-11-27-86(50)63(102)45(14-7-8-24-69)75-51(88)36-82(38-53(91)92)32-30-81(37-52(89)90)31-33-83(39-54(93)94)40-55(95)96/h18-21,41,43,45-50,56-57,87H,4-17,22-40,69H2,1-3H3,(H3,72,73)(H,75,88)(H,76,100)(H,77,98)(H,78,101)(H,79,99)(H,80,97)(H,89,90)(H,91,92)(H,93,94)(H,95,96)(H,104,105)(H4,70,71,74)/t45-,46-,47-,48-,49-,50-,56-,57+/m0/s1
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n/an/a 11.9n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130882
PNG
(CHEMBL406127 | DTPA-DLys-Pro-Arg-Gly(PipAm)-Arg-Pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C65H106N18O19/c1-38(2)31-45(62(101)102)75-59(98)54(65(3,4)5)77-55(94)44(32-39-15-17-41(84)18-16-39)74-56(95)46-13-9-23-82(46)61(100)43(12-8-22-71-63(67)68)73-58(97)53(40-19-25-81(26-20-40)64(69)70)76-57(96)47-14-10-24-83(47)60(99)42(11-6-7-21-66)72-48(85)33-79(35-50(88)89)29-27-78(34-49(86)87)28-30-80(36-51(90)91)37-52(92)93/h15-18,38,40,42-47,53-54,84H,6-14,19-37,66H2,1-5H3,(H3,69,70)(H,72,85)(H,73,97)(H,74,95)(H,75,98)(H,76,96)(H,77,94)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,101,102)(H4,67,68,71)/t42-,43+,44+,45+,46+,47?,53+,54-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130881
PNG
(CHEMBL407329 | DTPA-DLys-Pro-Arg-Gly(PipAm)-Gly(Pi...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C1CCNCC1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C66H106N16O19/c1-39(2)32-46(64(100)101)73-61(97)56(66(3,4)5)76-57(93)45(33-40-13-15-43(83)16-14-40)72-58(94)47-11-9-25-82(47)63(99)55(41-17-22-70-23-18-41)75-60(96)54(42-19-26-80(27-20-42)65(68)69)74-59(95)48-12-8-24-81(48)62(98)44(10-6-7-21-67)71-49(84)34-78(36-51(87)88)30-28-77(35-50(85)86)29-31-79(37-52(89)90)38-53(91)92/h13-16,39,41-42,44-48,54-56,70,83H,6-12,17-38,67H2,1-5H3,(H3,68,69)(H,71,84)(H,72,94)(H,73,97)(H,74,95)(H,75,96)(H,76,93)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,100,101)/t44-,45+,46+,47?,48?,54+,55+,56-/m1/s1
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n/an/a 59.6n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130891
PNG
(CHEMBL413010 | DTPA-DLys-Pro-Gly(PipAm)-Arg-Pro-Ty...)
Show SMILES CC(C)(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](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C(=O)N[C@@H](CC1CCCC1)C(O)=O
Show InChI InChI=1S/C67H108N18O19/c1-67(2,3)56(61(100)77-47(64(103)104)34-40-11-4-5-12-40)79-57(96)46(33-41-17-19-43(86)20-18-41)76-58(97)48-15-9-25-84(48)63(102)45(14-8-24-73-65(69)70)75-60(99)55(42-21-27-83(28-22-42)66(71)72)78-59(98)49-16-10-26-85(49)62(101)44(13-6-7-23-68)74-50(87)35-81(37-52(90)91)31-29-80(36-51(88)89)30-32-82(38-53(92)93)39-54(94)95/h17-20,40,42,44-49,55-56,86H,4-16,21-39,68H2,1-3H3,(H3,71,72)(H,74,87)(H,75,99)(H,76,97)(H,77,100)(H,78,98)(H,79,96)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,103,104)(H4,69,70,73)/t44-,45-,46-,47-,48-,49-,55-,56+/m0/s1
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n/an/a 42.4n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130892
PNG
(CHEMBL405804 | DTPA-DLys-Pro-Gly(PipAm)-Arg-Pro-Ty...)
Show SMILES COC(=O)[C@H](CC(C)(C)C)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](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C(C)(C)C
Show InChI InChI=1S/C67H110N18O19/c1-66(2,3)34-46(63(103)104-7)77-60(100)55(67(4,5)6)79-56(96)45(33-40-17-19-42(86)20-18-40)76-57(97)47-15-11-25-84(47)62(102)44(14-10-24-73-64(69)70)75-59(99)54(41-21-27-83(28-22-41)65(71)72)78-58(98)48-16-12-26-85(48)61(101)43(13-8-9-23-68)74-49(87)35-81(37-51(90)91)31-29-80(36-50(88)89)30-32-82(38-52(92)93)39-53(94)95/h17-20,41,43-48,54-55,86H,8-16,21-39,68H2,1-7H3,(H3,71,72)(H,74,87)(H,75,99)(H,76,97)(H,77,100)(H,78,98)(H,79,96)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H4,69,70,73)/t43-,44-,45-,46-,47-,48-,54-,55+/m0/s1
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n/an/a 21.7n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130895
PNG
(CHEMBL408127 | DTPA-Cha(tr-4-Mam)-Pro-Arg-Gly(PipA...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCC(CN)CC1)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C69H112N18O19/c1-40(2)31-49(66(105)106)79-63(102)58(69(3,4)5)81-59(98)47(32-42-16-18-45(88)19-17-42)78-60(99)50-10-7-23-86(50)64(103)46(9-6-22-75-67(71)72)77-62(101)57(44-20-25-85(26-21-44)68(73)74)80-61(100)51-11-8-24-87(51)65(104)48(33-41-12-14-43(34-70)15-13-41)76-52(89)35-83(37-54(92)93)29-27-82(36-53(90)91)28-30-84(38-55(94)95)39-56(96)97/h16-19,40-41,43-44,46-51,57-58,88H,6-15,20-39,70H2,1-5H3,(H3,73,74)(H,76,89)(H,77,101)(H,78,99)(H,79,102)(H,80,100)(H,81,98)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,105,106)(H4,71,72,75)/t41?,43?,46-,47-,48-,49-,50-,51-,57-,58+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130898
PNG
(CHEMBL408381 | DTPA-Gly(Pip)-Pro-Arg-Gly(PipAm)-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCNCC1)C1CCN(CC1)C(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C66H106N18O19/c1-38(2)31-45(63(102)103)75-60(99)55(66(3,4)5)78-56(95)44(32-39-12-14-42(85)15-13-39)74-57(96)46-10-7-23-83(46)61(100)43(9-6-20-72-64(67)68)73-59(98)53(41-18-25-82(26-19-41)65(69)70)77-58(97)47-11-8-24-84(47)62(101)54(40-16-21-71-22-17-40)76-48(86)33-80(35-50(89)90)29-27-79(34-49(87)88)28-30-81(36-51(91)92)37-52(93)94/h12-15,38,40-41,43-47,53-55,71,85H,6-11,16-37H2,1-5H3,(H3,69,70)(H,73,98)(H,74,96)(H,75,99)(H,76,86)(H,77,97)(H,78,95)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,102,103)(H4,67,68,72)/t43-,44-,45-,46-,47-,53-,54-,55+/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130899
PNG
(CHEMBL408638 | DTPA-DLys-Pro-Arg-Gly(PipAm)-Arg-Pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C65H106N18O19/c1-38(2)31-45(62(101)102)75-59(98)54(65(3,4)5)77-55(94)44(32-39-15-17-41(84)18-16-39)74-56(95)46-13-9-23-82(46)61(100)43(12-8-22-71-63(67)68)73-58(97)53(40-19-25-81(26-20-40)64(69)70)76-57(96)47-14-10-24-83(47)60(99)42(11-6-7-21-66)72-48(85)33-79(35-50(88)89)29-27-78(34-49(86)87)28-30-80(36-51(90)91)37-52(92)93/h15-18,38,40,42-47,53-54,84H,6-14,19-37,66H2,1-5H3,(H3,69,70)(H,72,85)(H,73,97)(H,74,95)(H,75,98)(H,76,96)(H,77,94)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,101,102)(H4,67,68,71)/t42-,43+,44+,45+,46+,47+,53+,54-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130878
PNG
(CHEMBL424896 | DTPA-DLys-Pro-Arg-Ala(PipAm)-Arg-Pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C66H108N18O19/c1-39(2)31-47(63(102)103)77-60(99)55(66(3,4)5)78-57(96)46(32-40-15-17-42(85)18-16-40)76-59(98)49-14-10-24-84(49)62(101)44(12-8-22-72-64(68)69)74-56(95)45(33-41-19-25-82(26-20-41)65(70)71)75-58(97)48-13-9-23-83(48)61(100)43(11-6-7-21-67)73-50(86)34-80(36-52(89)90)29-27-79(35-51(87)88)28-30-81(37-53(91)92)38-54(93)94/h15-18,39,41,43-49,55,85H,6-14,19-38,67H2,1-5H3,(H3,70,71)(H,73,86)(H,74,95)(H,75,97)(H,76,98)(H,77,99)(H,78,96)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,102,103)(H4,68,69,72)/t43-,44+,45+,46+,47+,48+,49+,55-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130879
PNG
(CHEMBL436717 | DTPA-Ala(Pip)-Pro-Arg-Gly(PipAm)-Ar...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1CCN(CC1)C(N)=N)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C68H110N20O19/c1-39(2)31-47(64(106)107)79-61(103)56(68(3,4)5)81-57(99)45(32-40-12-14-43(89)15-13-40)78-58(100)48-10-7-21-87(48)62(104)44(9-6-20-75-65(69)70)77-60(102)55(42-18-25-86(26-19-42)67(73)74)80-59(101)49-11-8-22-88(49)63(105)46(33-41-16-23-85(24-17-41)66(71)72)76-50(90)34-83(36-52(93)94)29-27-82(35-51(91)92)28-30-84(37-53(95)96)38-54(97)98/h12-15,39,41-42,44-49,55-56,89H,6-11,16-38H2,1-5H3,(H3,71,72)(H3,73,74)(H,76,90)(H,77,102)(H,78,100)(H,79,103)(H,80,101)(H,81,99)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,106,107)(H4,69,70,75)/t44-,45-,46-,47-,48-,49-,55-,56+/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130872
PNG
(CHEMBL408997 | DTPA-DLys-Pro-Arg-Gly(PipAm)-Arg-Pr...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(O)c1)NC(=O)C1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C1CCN(CC1)C(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C65H106N18O19/c1-38(2)30-45(62(101)102)75-59(98)54(65(3,4)5)77-55(94)44(32-39-12-8-13-41(84)31-39)74-56(95)46-16-10-22-82(46)61(100)43(15-9-21-71-63(67)68)73-58(97)53(40-18-24-81(25-19-40)64(69)70)76-57(96)47-17-11-23-83(47)60(99)42(14-6-7-20-66)72-48(85)33-79(35-50(88)89)28-26-78(34-49(86)87)27-29-80(36-51(90)91)37-52(92)93/h8,12-13,31,38,40,42-47,53-54,84H,6-7,9-11,14-30,32-37,66H2,1-5H3,(H3,69,70)(H,72,85)(H,73,97)(H,74,95)(H,75,98)(H,76,96)(H,77,94)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,101,102)(H4,67,68,71)/t42-,43+,44+,45+,46?,47?,53+,54-/m1/s1
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n/an/a 106n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50130873
PNG
(CHEMBL409477 | DTPA-Arg-Arg-Pro-Tur-Ile-Leu-OH)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C52H85N15O17/c1-5-31(4)44(48(81)62-37(50(83)84)23-30(2)3)63-46(79)36(24-32-12-14-33(68)15-13-32)61-47(80)38-11-8-18-67(38)49(82)35(10-7-17-58-52(55)56)60-45(78)34(9-6-16-57-51(53)54)59-39(69)25-65(27-41(72)73)21-19-64(26-40(70)71)20-22-66(28-42(74)75)29-43(76)77/h12-15,30-31,34-38,44,68H,5-11,16-29H2,1-4H3,(H,59,69)(H,60,78)(H,61,80)(H,62,81)(H,63,79)(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,83,84)(H4,53,54,57)(H4,55,56,58)/t31-,34-,35-,36-,37-,38-,44-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards neurotensin receptor in membranes prepared from HT-29 cell line, relative to [111In]-labeled neurotensin peptide


J Med Chem 46: 3403-11 (2003)


Article DOI: 10.1021/jm030081k
BindingDB Entry DOI: 10.7270/Q2222VHR
More data for this
Ligand-Target Pair