Found 28 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130880
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130895
(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 |wU:46.47,12.21,31.40,4.4,wD:24.24,8.8,42.44,53.66,(36.58,-11.51,;35.24,-10.76,;35.24,-9.23,;33.89,-11.51,;33.89,-13.01,;32.54,-13.78,;31.18,-13.01,;31.18,-11.51,;29.83,-13.78,;28.49,-13.01,;27.15,-13.78,;27.15,-15.29,;25.79,-13.01,;25.79,-11.51,;24.68,-10.44,;25.31,-9.06,;24.42,-7.85,;22.86,-7.99,;21.93,-6.76,;22.22,-9.38,;23.13,-10.6,;24.45,-13.77,;23.08,-13.01,;23.08,-11.51,;21.76,-13.77,;22.23,-15.21,;20.97,-16.11,;19.73,-15.21,;20.2,-13.77,;18.85,-14.52,;18.83,-16.05,;17.51,-13.76,;17.51,-12.25,;16.17,-11.48,;16.19,-9.96,;14.84,-9.19,;14.85,-7.66,;13.51,-6.9,;16.2,-6.92,;16.14,-14.5,;14.8,-13.73,;14.82,-12.21,;13.44,-14.47,;12.1,-13.72,;10.76,-14.49,;10.76,-16.01,;9.41,-13.73,;9.48,-12.22,;8.02,-11.67,;7.05,-12.85,;7.9,-14.13,;6.54,-13.37,;6.54,-11.86,;5.19,-14.14,;5.19,-15.65,;3.85,-16.42,;2.31,-16.72,;2.4,-18.45,;1.59,-19.49,;.28,-20.31,;.36,-21.82,;3.13,-19.19,;3.07,-17.4,;3.84,-13.39,;2.5,-14.14,;2.5,-15.68,;1.13,-13.4,;-.21,-14.14,;-1.55,-13.4,;-2.93,-14.14,;-4.25,-13.4,;-5.62,-14.14,;-6.96,-13.4,;-8.3,-14.14,;-8.3,-15.68,;-9.68,-16.44,;-11.02,-15.68,;-9.68,-17.95,;-9.68,-13.4,;-9.68,-11.88,;-8.3,-11.11,;-11.02,-11.11,;-4.25,-11.88,;-5.62,-11.11,;-5.62,-9.58,;-6.96,-11.88,;-.21,-15.68,;-1.55,-16.44,;-2.93,-15.68,;-1.55,-17.95,;13.43,-16,;14.77,-16.75,;14.76,-18.26,;13.4,-19.01,;12.05,-18.26,;12.07,-16.72,;13.4,-20.53,;14.74,-21.3,;12.05,-21.27,;29.83,-15.29,;31.18,-16.05,;28.49,-16.05,;29.83,-16.8,;35.24,-13.78,;36.58,-13.01,;35.23,-15.29,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130898
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130882
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130873
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130876
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130899
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130885
(CHEMBL412699 | DTPA-DLys-Pro-Arg-Phe(4-Gu)-Pro-Tyr...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130886
(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 |wU:53.56,c:64,(15.26,-25.33,;16.74,-25.75,;17.12,-27.24,;17.84,-24.66,;19.36,-24.8,;20.25,-23.53,;19.6,-22.14,;18.06,-22,;20.48,-20.87,;19.82,-19.48,;18.29,-19.34,;17.4,-20.61,;17.64,-17.96,;16.1,-17.82,;14.77,-18.59,;13.44,-17.79,;12.1,-18.55,;12.09,-20.09,;10.75,-20.85,;13.42,-20.87,;14.75,-20.11,;18.52,-16.7,;17.86,-15.3,;16.33,-15.17,;18.73,-14.04,;20.27,-14,;20.73,-12.53,;19.47,-11.66,;18.24,-12.59,;16.77,-12.13,;15.63,-13.2,;16.42,-10.64,;17.54,-9.59,;19.01,-10.04,;20.13,-8.99,;21.62,-9.43,;22.74,-8.38,;22.39,-6.89,;24.21,-8.84,;14.95,-10.2,;14.6,-8.7,;15.72,-7.65,;13.13,-8.24,;12.78,-6.75,;11.31,-6.3,;10.17,-7.35,;10.96,-4.8,;11.97,-3.64,;11.18,-2.32,;9.68,-2.67,;9.55,-4.21,;8.22,-5,;8.25,-6.54,;6.88,-4.25,;5.56,-5.04,;4.21,-4.3,;4.58,-2.8,;2.74,-4.72,;1.8,-3.48,;.35,-3.97,;1.1,-2.62,;2.64,-2.57,;3.39,-1.22,;2.57,.11,;3.31,1.47,;1.03,.09,;.29,-1.29,;-1.26,-1.33,;-2,-2.68,;-3.54,-2.71,;-4.28,-4.07,;-5.83,-4.09,;-3.49,-5.39,;-1.94,-5.36,;-1.2,-4.01,;.38,-5.53,;-.76,-6.58,;-.41,-8.08,;1.07,-8.52,;1.42,-10.04,;.29,-11.08,;.64,-12.6,;-1.19,-10.64,;2.19,-7.47,;1.85,-5.98,;6.86,-2.71,;8.17,-1.92,;8.16,-.38,;6.82,.37,;5.49,-.43,;5.51,-1.97,;11.99,-9.29,;12.36,-10.78,;11.22,-11.83,;9.76,-11.39,;9.41,-9.89,;10.54,-8.85,;8.63,-12.44,;8.96,-13.93,;7.16,-11.97,;22.01,-20.99,;22.67,-22.39,;22.88,-19.74,;23.49,-21.39,;20.03,-26.19,;19.14,-27.45,;21.55,-26.31,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50370236
(CHEMBL1790850)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130875
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130883
(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 |wU:49.52,c:65,(27.54,-15.35,;26.05,-15.75,;25.65,-17.24,;26.75,-18.31,;24.18,-17.64,;23.09,-16.56,;21.6,-16.96,;21.2,-18.45,;20.5,-15.88,;19.01,-16.29,;18.04,-17.45,;18.55,-18.9,;17.55,-20.06,;16.03,-19.78,;15.03,-20.96,;15.52,-18.34,;16.52,-17.17,;20.9,-14.4,;19.81,-13.31,;18.33,-13.72,;20.2,-11.83,;21.64,-11.27,;21.55,-9.74,;20.06,-9.35,;19.22,-10.64,;17.7,-10.72,;17,-12.1,;16.85,-9.44,;17.55,-8.07,;19.08,-7.99,;19.78,-6.61,;21.31,-6.53,;22.01,-5.16,;21.16,-3.87,;23.55,-5.08,;15.33,-9.53,;14.47,-8.25,;15.17,-6.87,;12.95,-8.32,;12.1,-7.04,;10.57,-7.13,;9.88,-8.5,;9.72,-5.83,;10.28,-4.4,;9.08,-3.43,;7.79,-4.27,;8.2,-5.76,;7.23,-6.96,;7.79,-8.39,;5.71,-6.72,;4.75,-7.92,;5.16,-5.29,;6.13,-4.08,;5.57,-2.66,;6.53,-1.47,;5.99,-.03,;4.46,.21,;4.83,1.72,;2.99,-.21,;2.07,1.02,;.61,.53,;1.36,1.89,;2.9,1.93,;3.64,3.28,;2.83,4.61,;3.57,5.98,;1.29,4.58,;.54,3.21,;-.99,3.18,;-1.74,1.83,;-3.28,1.79,;-4.02,.44,;-5.56,.42,;-3.21,-.89,;-1.67,-.85,;-.93,.5,;.64,-1.01,;-.5,-2.06,;-.16,-3.57,;1.34,-4.01,;1.68,-5.52,;.54,-6.58,;.89,-8.08,;-.92,-6.13,;2.45,-2.97,;2.1,-1.48,;12.25,-9.7,;10.72,-9.77,;10.02,-11.14,;10.86,-12.42,;12.4,-12.35,;13.1,-10.98,;10.16,-13.8,;11,-15.09,;8.63,-13.88,;23.79,-19.13,;22.3,-19.53,;24.88,-20.22,;24.49,-21.69,;23,-22.1,;22.34,-23.5,;23.22,-24.77,;20.81,-23.62,;25.58,-22.78,;25.19,-24.25,;27.06,-22.37,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130888
(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 |wU:49.57,c:65,(23.63,-18.8,;22.11,-18.67,;21.23,-19.93,;21.88,-21.32,;19.69,-19.8,;19.04,-18.41,;17.5,-18.27,;16.63,-19.54,;16.85,-16.89,;15.32,-16.75,;13.98,-17.52,;13.97,-19.04,;12.64,-19.8,;11.3,-19.02,;9.97,-19.78,;11.32,-17.48,;12.65,-16.72,;17.73,-15.63,;17.08,-14.23,;15.54,-14.09,;17.96,-12.97,;19.5,-12.93,;19.95,-11.46,;18.69,-10.59,;17.45,-11.52,;15.98,-11.06,;14.86,-12.13,;15.63,-9.57,;16.75,-8.52,;18.22,-8.96,;19.36,-7.91,;20.83,-8.36,;21.95,-7.31,;21.6,-5.82,;23.42,-7.77,;14.16,-9.13,;13.81,-7.63,;14.93,-6.58,;12.35,-7.17,;12,-5.68,;10.53,-5.23,;9.4,-6.28,;10.18,-3.73,;11.18,-2.57,;10.39,-1.24,;8.89,-1.59,;8.75,-3.13,;7.44,-3.93,;7.47,-5.47,;6.1,-3.18,;6.07,-1.64,;7.38,-.85,;7.35,.69,;8.68,1.48,;8.65,3.02,;4.77,-3.97,;3.43,-3.23,;3.79,-1.73,;1.94,-3.65,;1.03,-2.41,;-.44,-2.9,;.31,-1.55,;1.85,-1.5,;2.6,-.15,;1.78,1.18,;2.53,2.54,;.24,1.16,;-.51,-.22,;-2.04,-.26,;-2.79,-1.61,;-4.33,-1.64,;-5.08,-2.99,;-6.62,-3.02,;-4.27,-4.32,;-2.72,-4.29,;-1.98,-2.94,;-.41,-4.45,;-1.55,-5.5,;-1.2,-7,;.29,-7.45,;.64,-8.96,;-.51,-10.01,;-.16,-11.53,;-1.97,-9.57,;1.41,-6.41,;1.06,-4.91,;11.22,-8.22,;11.58,-9.71,;10.45,-10.76,;8.96,-10.32,;8.63,-8.82,;9.76,-7.77,;7.84,-11.37,;8.19,-12.86,;6.37,-10.9,;18.81,-21.07,;17.28,-20.93,;19.47,-22.46,;18.59,-23.73,;17.06,-23.59,;15.96,-24.68,;14.47,-24.26,;16.33,-26.17,;19.25,-25.12,;18.36,-26.38,;20.78,-25.24,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130896
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130878
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130893
(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 |wU:49.92,c:64,100,(24.03,-21.3,;22.51,-21.42,;21.84,-22.81,;22.7,-24.08,;20.3,-22.93,;19.44,-21.65,;17.9,-21.77,;17.24,-23.16,;17.04,-20.5,;15.5,-20.63,;14.31,-21.58,;14.54,-23.09,;13.34,-24.05,;11.91,-23.5,;10.7,-24.45,;11.67,-21.98,;12.87,-21.02,;17.69,-19.11,;16.83,-17.86,;15.29,-17.97,;17.5,-16.46,;19.01,-16.19,;19.22,-14.66,;17.83,-14,;16.76,-15.12,;15.25,-14.91,;14.31,-16.13,;14.66,-13.49,;15.6,-12.26,;17.13,-12.47,;18.07,-11.26,;19.6,-11.47,;20.54,-10.25,;19.95,-8.83,;22.05,-10.46,;13.14,-13.29,;12.56,-11.86,;13.5,-10.65,;11.03,-11.66,;10.45,-10.24,;8.92,-10.03,;7.98,-11.24,;8.34,-8.61,;9.14,-7.3,;8.16,-6.11,;6.73,-6.7,;6.85,-8.23,;5.67,-9.23,;5.95,-10.75,;4.23,-8.71,;3.96,-7.2,;5.13,-6.21,;4.85,-4.69,;6.03,-3.7,;5.76,-2.19,;4.31,-1.66,;4.96,-.26,;2.8,-1.8,;2.12,-.4,;.59,-.63,;1.58,.57,;3.11,.32,;4.09,1.51,;3.54,2.97,;4.53,4.16,;2.01,3.23,;1.03,2.03,;-.49,2.28,;-1.47,1.09,;-2.98,1.35,;-3.98,.16,;-5.5,.43,;-3.44,-1.29,;-1.91,-1.55,;-.93,-.36,;.33,-2.15,;-.99,-2.96,;-.93,-4.5,;.43,-5.23,;.5,-6.77,;-.81,-7.58,;-.76,-9.14,;-2.18,-6.87,;1.73,-4.41,;1.68,-2.87,;3.06,-9.7,;-.27,-13.37,;-1.12,-12.07,;-.97,-14.73,;-2.51,-14.56,;-3.14,-15.97,;-3.63,-14.49,;-2.6,-13.34,;-3.08,-11.86,;-4.61,-11.54,;-5.1,-10.07,;-5.64,-12.71,;-5.14,-14.17,;-6.17,-15.32,;-5.69,-16.78,;-6.73,-17.93,;-6.24,-19.39,;-7.29,-20.55,;-4.72,-19.72,;-3.7,-18.58,;-4.17,-17.11,;-2,-16.99,;-2,-18.55,;-.67,-19.32,;.66,-18.55,;2.01,-19.32,;2.01,-20.86,;3.34,-21.63,;.66,-21.63,;.68,-17.01,;-.65,-16.24,;10.09,-12.87,;8.57,-12.66,;7.63,-13.87,;8.21,-15.29,;9.74,-15.5,;10.68,-14.29,;7.27,-16.5,;5.74,-16.3,;7.84,-17.93,;19.64,-24.31,;18.11,-24.43,;20.51,-25.58,;19.84,-26.97,;18.31,-27.08,;17.41,-28.33,;18.02,-29.74,;15.88,-28.17,;20.71,-28.24,;20.05,-29.62,;22.24,-28.12,)| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130890
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50370235
(CHEMBL1790849)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-c1ccnc(-[#7])n1)-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.2 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130887
(CHEMBL405160 | DTPA-DLys-ACA-Arg-Gly(PipAm)-Arg-Pr...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7])C([#6])([#6])[#6])-[#6](-[#8])=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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130877
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.9 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130892
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 21.7 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50370234
(CHEMBL1790851)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22.1 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130889
(CHEMBL408387 | DTPA-DLys-Pro-Arg-Phe(4-Gu)-Arg-Pro...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(cc1)\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)C([#6])([#6])[#6])-[#6](-[#8])=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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24.6 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130891
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 42.4 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130881
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 59.6 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130872
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130897
(CHEMBL410289 | DTPA-DLys-Pro-Arg-Gly(PipAm)-Arg-AC...)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-[#6](-[#8])=O)-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#7])=[#7])C([#6])([#6])[#6])-[#6](-[#8])=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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130879
(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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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