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PubMed code 12852770

Compile data set for download or QSAR
Found 28 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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
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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n/an/a 0.200n/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)
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)
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)
BDBM50130876
PNG
(CHEMBL404942 | DTPA-DTyr-Glu-Asn-Lys-Pro-Gly(PipAm...)
Show SMILES CC(C)(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)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)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/C84H130N22O26/c1-83(2,3)41-58(80(131)132)98-77(128)69(84(4,5)6)100-73(124)56(39-48-18-22-51(108)23-19-48)97-74(125)59-14-10-30-105(59)79(130)54(13-9-29-91-81(87)88)95-76(127)68(49-26-32-104(33-27-49)82(89)90)99-75(126)60-15-11-31-106(60)78(129)53(12-7-8-28-85)94-72(123)57(40-61(86)109)96-70(121)52(24-25-63(111)112)93-71(122)55(38-47-16-20-50(107)21-17-47)92-62(110)42-102(44-65(115)116)36-34-101(43-64(113)114)35-37-103(45-66(117)118)46-67(119)120/h16-23,49,52-60,68-69,107-108H,7-15,24-46,85H2,1-6H3,(H2,86,109)(H3,89,90)(H,92,110)(H,93,122)(H,94,123)(H,95,127)(H,96,121)(H,97,125)(H,98,128)(H,99,126)(H,100,124)(H,111,112)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,131,132)(H4,87,88,91)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,68-,69+/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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
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)
BDBM50130885
PNG
(CHEMBL412699 | DTPA-DLys-Pro-Arg-Phe(4-Gu)-Pro-Tyr...)
Show SMILES CC[C@H](C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)[C@H](NC(=O)C(CCCNC(N)=N)NC(=O)C1CCCN1C(=O)[C@@H](CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c1ccc(cc1)N=C(N)N)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C66H102N18O19/c1-5-39(4)55(61(99)77-47(64(102)103)31-38(2)3)78-58(96)46(32-40-15-21-43(85)22-16-40)76-60(98)49-14-10-26-84(49)63(101)56(41-17-19-42(20-18-41)73-66(70)71)79-57(95)44(12-8-24-72-65(68)69)75-59(97)48-13-9-25-83(48)62(100)45(11-6-7-23-67)74-50(86)33-81(35-52(89)90)29-27-80(34-51(87)88)28-30-82(36-53(91)92)37-54(93)94/h15-22,38-39,44-49,55-56,85H,5-14,23-37,67H2,1-4H3,(H,74,86)(H,75,97)(H,76,98)(H,77,99)(H,78,96)(H,79,95)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,102,103)(H4,68,69,72)(H4,70,71,73)/t39-,44?,45+,46?,47?,48?,49?,55?,56+/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
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens)
BDBM50130886
PNG
(CHEMBL437288 | alpha-FITC-Gly(Pip)-Pro-Gly(PipAm)-...)
Show SMILES CC(C)CC(NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)C1OC2(C3C=CC(=O)CC3Oc3cc(O)ccc23)c2ccc(NC(N)=S)cc12)C1CCNCC1)C1CCC(CC1)C(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C75H102N16O15S/c1-38(2)33-53(71(103)104)86-68(100)61(74(3,4)5)89-63(95)52(34-39-12-19-44(92)20-13-39)85-64(96)54-10-7-31-90(54)69(101)51(9-6-28-82-72(78)79)84-66(98)58(40-14-16-42(17-15-40)62(76)77)87-65(97)55-11-8-32-91(55)70(102)59(41-26-29-81-30-27-41)88-67(99)60-47-35-43(83-73(80)107)18-23-48(47)75(106-60)49-24-21-45(93)36-56(49)105-57-37-46(94)22-25-50(57)75/h12-13,18-25,35-36,38,40-42,50-55,57-61,81,92-93H,6-11,14-17,26-34,37H2,1-5H3,(H3,76,77)(H,84,98)(H,85,96)(H,86,100)(H,87,97)(H,88,99)(H,89,95)(H,103,104)(H4,78,79,82)(H3,80,83,107)/t40?,42?,50?,51?,52?,53?,54?,55?,57?,58?,59-,60?,61?,75?/m0/s1
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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)
BDBM50370236
PNG
(CHEMBL1790850)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(cc1)N=C(N)N)NC(=O)C1CCCN1C(=O)[C@@H](CCCCN)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/C67H104N18O19/c1-5-40(4)57(62(100)79-49(65(103)104)31-39(2)3)80-59(97)48(33-42-17-21-44(86)22-18-42)78-61(99)51-14-10-26-85(51)64(102)46(12-8-24-73-66(69)70)76-58(96)47(32-41-15-19-43(20-16-41)74-67(71)72)77-60(98)50-13-9-25-84(50)63(101)45(11-6-7-23-68)75-52(87)34-82(36-54(90)91)29-27-81(35-53(88)89)28-30-83(37-55(92)93)38-56(94)95/h15-22,39-40,45-51,57,86H,5-14,23-38,68H2,1-4H3,(H,75,87)(H,76,96)(H,77,98)(H,78,99)(H,79,100)(H,80,97)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,103,104)(H4,69,70,73)(H4,71,72,74)/t40-,45+,46-,47-,48-,49-,50?,51?,57-/m0/s1
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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)
BDBM50130875
PNG
(CHEMBL386387 | DTPA-DTyr-Glu-Asn-Lys-Pro-Gly(PipAm...)
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)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)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/C86H132N22O26/c1-86(2,3)72(80(130)100-61(83(133)134)42-49-12-5-4-6-13-49)102-76(126)59(41-51-20-24-54(110)25-21-51)99-77(127)62-16-10-32-107(62)82(132)57(15-9-31-93-84(89)90)97-79(129)71(52-28-34-106(35-29-52)85(91)92)101-78(128)63-17-11-33-108(63)81(131)56(14-7-8-30-87)96-75(125)60(43-64(88)111)98-73(123)55(26-27-66(113)114)95-74(124)58(40-50-18-22-53(109)23-19-50)94-65(112)44-104(46-68(117)118)38-36-103(45-67(115)116)37-39-105(47-69(119)120)48-70(121)122/h18-25,49,52,55-63,71-72,109-110H,4-17,26-48,87H2,1-3H3,(H2,88,111)(H3,91,92)(H,94,112)(H,95,124)(H,96,125)(H,97,129)(H,98,123)(H,99,127)(H,100,130)(H,101,128)(H,102,126)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,133,134)(H4,89,90,93)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,71-,72+/m0/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)
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)
BDBM50130883
PNG
(CHEMBL406456 | epsilon-FITC-DLys-Pro-Gly(PipAm)-Ar...)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C1CCCN1C(=O)[C@@H](N)CCCCNC(=O)C1OC2(C3C=CC(=O)CC3Oc3cc(O)ccc23)c2ccc(NC(N)=S)cc12)C1CCC(CC1)C(N)=N)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C74H102N16O15S/c1-5-39(4)59(66(97)86-54(71(102)103)33-38(2)3)87-63(94)53(34-40-15-22-44(91)23-16-40)85-64(95)55-13-10-32-90(55)70(101)52(12-8-30-82-72(78)79)84-67(98)60(41-17-19-42(20-18-41)62(76)77)88-65(96)56-14-9-31-89(56)69(100)51(75)11-6-7-29-81-68(99)61-47-35-43(83-73(80)106)21-26-48(47)74(105-61)49-27-24-45(92)36-57(49)104-58-37-46(93)25-28-50(58)74/h15-16,21-28,35-36,38-39,41-42,50-56,58-61,91-92H,5-14,17-20,29-34,37,75H2,1-4H3,(H3,76,77)(H,81,99)(H,84,98)(H,85,95)(H,86,97)(H,87,94)(H,88,96)(H,102,103)(H4,78,79,82)(H3,80,83,106)/t39?,41?,42?,50?,51-,52?,53?,54?,55?,56?,58?,59?,60?,61?,74?/m0/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)
BDBM50130888
PNG
(CHEMBL408534 | alpha-FITC-DLys-Pro-Gly(PipAm)-Arg-...)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C1CCCN1C(=O)[C@H](CCCCN)NC(=O)C1OC2(C3C=CC(=O)CC3Oc3cc(O)ccc23)c2ccc(NC(N)=S)cc12)C1CCC(CC1)C(N)=N)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C74H102N16O15S/c1-5-39(4)59(66(97)86-54(71(102)103)33-38(2)3)87-63(94)53(34-40-15-22-44(91)23-16-40)85-64(95)55-13-9-31-89(55)70(101)52(12-8-30-81-72(78)79)83-67(98)60(41-17-19-42(20-18-41)62(76)77)88-65(96)56-14-10-32-90(56)69(100)51(11-6-7-29-75)84-68(99)61-47-35-43(82-73(80)106)21-26-48(47)74(105-61)49-27-24-45(92)36-57(49)104-58-37-46(93)25-28-50(58)74/h15-16,21-28,35-36,38-39,41-42,50-56,58-61,91-92H,5-14,17-20,29-34,37,75H2,1-4H3,(H3,76,77)(H,83,98)(H,84,99)(H,85,95)(H,86,97)(H,87,94)(H,88,96)(H,102,103)(H4,78,79,81)(H3,80,82,106)/t39?,41?,42?,50?,51-,52?,53?,54?,55?,56?,58?,59?,60?,61?,74?/m0/s1
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n/an/a 1.20n/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)
BDBM50130896
PNG
(CHEMBL437707 | DTPA-DTyr-Glu-Asn-Lys-Pro-Gly(PipAm...)
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)NC(=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)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/C84H129N23O27/c1-46(2)37-58(80(132)133)98-78(130)69(84(3,4)5)100-74(126)56(39-48-17-21-51(109)22-18-48)97-75(127)59-13-9-29-106(59)79(131)54(12-8-28-91-81(87)88)95-77(129)68(49-25-31-105(32-26-49)82(89)90)99-76(128)60-14-10-30-107(60)83(134)101-71(123)52(11-6-7-27-85)93-73(125)57(40-61(86)110)96-70(122)53(23-24-63(112)113)94-72(124)55(38-47-15-19-50(108)20-16-47)92-62(111)41-103(43-65(116)117)35-33-102(42-64(114)115)34-36-104(44-66(118)119)45-67(120)121/h15-22,46,49,52-60,68-69,108-109H,6-14,23-45,85H2,1-5H3,(H2,86,110)(H3,89,90)(H,92,111)(H,93,125)(H,94,124)(H,95,129)(H,96,122)(H,97,127)(H,98,130)(H,99,128)(H,100,126)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,132,133)(H4,87,88,91)(H,101,123,134)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,68-,69+/m0/s1
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n/an/a 1.5n/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)
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)
BDBM50130893
PNG
(CHEMBL439694 | alpha,epsilon-Bis(FITC)-DLys-Pro-Gl...)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C1CCCN1C(=O)[C@H](CCCCNC(=O)C1OC2(C3C=CC(=O)CC3Oc3cc(O)ccc23)c2ccc(NC(N)=S)cc12)NC(=O)C1OC2(C3C=CC(=O)CC3Oc3cc(O)ccc23)c2ccc(NC(N)=S)cc12)C1CCC(CC1)C(N)=N)C(=O)NC(CC(C)C)C(O)=O
Show InChI InChI=1S/C96H118N18O20S2/c1-5-48(4)77(85(123)110-70(91(129)130)39-47(2)3)111-82(120)69(40-49-15-23-54(115)24-16-49)109-83(121)71-13-9-37-113(71)90(128)68(12-8-36-104-92(99)100)107-86(124)78(50-17-19-51(20-18-50)81(97)98)112-84(122)72-14-10-38-114(72)89(127)67(108-88(126)80-60-42-53(106-94(102)136)22-30-62(60)96(134-80)65-33-27-57(118)45-75(65)132-76-46-58(119)28-34-66(76)96)11-6-7-35-103-87(125)79-59-41-52(105-93(101)135)21-29-61(59)95(133-79)63-31-25-55(116)43-73(63)131-74-44-56(117)26-32-64(74)95/h15-16,21-34,41-43,45,47-48,50-51,64,66-72,74,76-80,115-116,118H,5-14,17-20,35-40,44,46H2,1-4H3,(H3,97,98)(H,103,125)(H,107,124)(H,108,126)(H,109,121)(H,110,123)(H,111,120)(H,112,122)(H,129,130)(H4,99,100,104)(H3,101,105,135)(H3,102,106,136)/t48?,50?,51?,64?,66?,67-,68?,69?,70?,71?,72?,74?,76?,77?,78?,79?,80?,95?,96?/m0/s1
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n/an/a 3.40n/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)
BDBM50130890
PNG
(CHEMBL413192 | DTPA-DLys-Pro-Arg-hAla(PipAm)-Arg-P...)
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](CCC1CCN(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/C67H110N18O19/c1-40(2)33-48(64(103)104)78-61(100)56(67(3,4)5)79-58(97)47(34-42-15-18-43(86)19-16-42)77-60(99)50-14-10-26-85(50)63(102)46(12-8-24-73-65(69)70)76-57(96)44(20-17-41-21-27-83(28-22-41)66(71)72)75-59(98)49-13-9-25-84(49)62(101)45(11-6-7-23-68)74-51(87)35-81(37-53(90)91)31-29-80(36-52(88)89)30-32-82(38-54(92)93)39-55(94)95/h15-16,18-19,40-41,44-50,56,86H,6-14,17,20-39,68H2,1-5H3,(H3,71,72)(H,74,87)(H,75,98)(H,76,96)(H,77,99)(H,78,100)(H,79,97)(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-,50-,56+/m0/s1
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n/an/a 6.30n/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)
BDBM50370235
PNG
(CHEMBL1790849)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCc1ccnc(N)n1)NC(=O)C1CCCN1C(=O)[C@@H](CCCCN)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/C65H102N18O19/c1-5-39(4)55(60(98)77-47(63(101)102)31-38(2)3)78-57(95)46(32-40-15-18-42(84)19-16-40)76-59(97)49-14-10-26-83(49)62(100)45(12-8-23-70-64(67)68)75-56(94)43(20-17-41-21-24-71-65(69)72-41)74-58(96)48-13-9-25-82(48)61(99)44(11-6-7-22-66)73-50(85)33-80(35-52(88)89)29-27-79(34-51(86)87)28-30-81(36-53(90)91)37-54(92)93/h15-16,18-19,21,24,38-39,43-49,55,84H,5-14,17,20,22-23,25-37,66H2,1-4H3,(H,73,85)(H,74,96)(H,75,94)(H,76,97)(H,77,98)(H,78,95)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,101,102)(H4,67,68,70)(H2,69,71,72)/t39-,43-,44+,45-,46-,47-,48?,49?,55-/m0/s1
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n/an/a 10.2n/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)
BDBM50130887
PNG
(CHEMBL405160 | DTPA-DLys-ACA-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](CCCN=C(N)N)NC(=O)[C@@H]1CCN1C(=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/C70H116N22O20/c1-40(2)33-48(66(111)112)84-63(108)57(70(3,4)5)86-59(104)47(34-41-15-17-43(93)18-16-41)83-60(105)49-14-10-25-91(49)65(110)46(13-9-24-79-68(74)75)82-62(107)56(42-19-26-90(27-20-42)69(76)77)85-58(103)44(12-8-23-78-67(72)73)81-61(106)50-21-28-92(50)64(109)45(11-6-7-22-71)80-51(94)35-88(37-53(97)98)31-29-87(36-52(95)96)30-32-89(38-54(99)100)39-55(101)102/h15-18,40,42,44-50,56-57,93H,6-14,19-39,71H2,1-5H3,(H3,76,77)(H,80,94)(H,81,106)(H,82,107)(H,83,105)(H,84,108)(H,85,103)(H,86,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,111,112)(H4,72,73,78)(H4,74,75,79)/t44-,45+,46-,47-,48-,49-,50-,56-,57+/m0/s1
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n/an/a 11.5n/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)
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)
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)
BDBM50370234
PNG
(CHEMBL1790851)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(cc1)N=C(N)N)NC(=O)[C@H](Cc1ccc(cc1)N=C(N)N)NC(=O)C1CCCN1C(=O)[C@@H](CCCCN)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/C71H104N18O19/c1-5-42(4)61(66(104)83-53(69(107)108)32-41(2)3)84-63(101)51(34-45-17-23-48(90)24-18-45)81-65(103)55-12-9-27-89(55)68(106)52(35-44-15-21-47(22-16-44)78-71(75)76)82-62(100)50(33-43-13-19-46(20-14-43)77-70(73)74)80-64(102)54-11-8-26-88(54)67(105)49(10-6-7-25-72)79-56(91)36-86(38-58(94)95)30-28-85(37-57(92)93)29-31-87(39-59(96)97)40-60(98)99/h13-24,41-42,49-55,61,90H,5-12,25-40,72H2,1-4H3,(H,79,91)(H,80,102)(H,81,103)(H,82,100)(H,83,104)(H,84,101)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,107,108)(H4,73,74,77)(H4,75,76,78)/t42-,49+,50-,51-,52-,53-,54?,55-,61-/m0/s1
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n/an/a 22.1n/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)
BDBM50130889
PNG
(CHEMBL408387 | DTPA-DLys-Pro-Arg-Phe(4-Gu)-Arg-Pro...)
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](Cc1ccc(cc1)N=C(N)N)NC(=O)C1CCCN1C(=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/C67H104N18O19/c1-39(2)31-48(64(103)104)79-61(100)56(67(3,4)5)80-58(97)47(33-41-17-21-43(86)22-18-41)78-60(99)50-14-10-26-85(50)63(102)45(12-8-24-73-65(69)70)76-57(96)46(32-40-15-19-42(20-16-40)74-66(71)72)77-59(98)49-13-9-25-84(49)62(101)44(11-6-7-23-68)75-51(87)34-82(36-53(90)91)29-27-81(35-52(88)89)28-30-83(37-54(92)93)38-55(94)95/h15-22,39,44-50,56,86H,6-14,23-38,68H2,1-5H3,(H,75,87)(H,76,96)(H,77,98)(H,78,99)(H,79,100)(H,80,97)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,103,104)(H4,69,70,73)(H4,71,72,74)/t44-,45+,46+,47+,48+,49?,50+,56-/m1/s1
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n/an/a 24.6n/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)
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)
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)
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)
BDBM50130897
PNG
(CHEMBL410289 | DTPA-DLys-Pro-Arg-Gly(PipAm)-Arg-AC...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCCN=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)C1CCN(CC1)C(N)=N)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C70H116N22O20/c1-40(2)33-48(66(111)112)84-63(108)57(70(3,4)5)86-59(104)47(34-41-15-17-43(93)18-16-41)83-61(106)50-21-28-92(50)65(110)46(13-9-24-79-68(74)75)82-62(107)56(42-19-26-90(27-20-42)69(76)77)85-58(103)44(12-8-23-78-67(72)73)81-60(105)49-14-10-25-91(49)64(109)45(11-6-7-22-71)80-51(94)35-88(37-53(97)98)31-29-87(36-52(95)96)30-32-89(38-54(99)100)39-55(101)102/h15-18,40,42,44-50,56-57,93H,6-14,19-39,71H2,1-5H3,(H3,76,77)(H,80,94)(H,81,105)(H,82,107)(H,83,106)(H,84,108)(H,85,103)(H,86,104)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,111,112)(H4,72,73,78)(H4,74,75,79)/t44-,45+,46-,47-,48-,49-,50-,56-,57+/m0/s1
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n/an/a 113n/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)
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
* indicates data uncertainty>20%