Compile Data Set for Download or QSAR

Found 49 hits with Last Name = 'bugaj' and Initial = 'je'   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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
Gastrin-releasing peptide receptor (RAT)	BDBM50112639 (CHEMBL402688 | pQ-Q-R-Y-G-N-Q-W-A-V-G-H-L-M-NH2) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O Show InChI InChI=1S/C74H108N24O19S/c1-36(2)26-50(70(114)91-45(62(78)106)23-25-118-6)95-71(115)53(29-41-32-81-35-86-41)89-60(105)34-85-73(117)61(37(3)4)98-63(107)38(5)87-69(113)52(28-40-31-83-44-11-8-7-10-43(40)44)97-68(112)49(18-21-56(76)101)94-72(116)54(30-57(77)102)90-59(104)33-84-64(108)51(27-39-13-15-42(99)16-14-39)96-65(109)46(12-9-24-82-74(79)80)92-67(111)48(17-20-55(75)100)93-66(110)47-19-22-58(103)88-47/h7-8,10-11,13-16,31-32,35-38,45-54,61,83,99H,9,12,17-30,33-34H2,1-6H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,108)(H,85,117)(H,87,113)(H,88,103)(H,89,105)(H,90,104)(H,91,114)(H,92,111)(H,93,110)(H,94,116)(H,95,115)(H,96,109)(H,97,112)(H,98,107)(H4,79,80,82)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					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
Gastrin-releasing peptide receptor (RAT)	BDBM50112626 (CHEMBL442514 | Carbocyanine derivative) Show SMILES CSCCC(N)C(=O)NC(CC(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(CO)C(=O)NCC(=O)NC(=O)CC[N+]1=C(C=CC=C\C=C\C=C2\N(CCC(O)=O)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2c1ccc1ccccc21 |w:87.90,89.92,c:87| Show InChI InChI=1S/C91H114N18O16S/c1-52(2)42-65(104-83(119)62(92)38-41-126-10)87(123)105-67(44-58-46-94-51-99-58)85(121)97-49-77(115)107-81(53(3)4)89(125)100-54(5)82(118)103-66(43-57-45-95-63-27-21-20-24-59(57)63)88(124)102-64(32-35-73(93)111)84(120)96-47-75(113)101-68(50-110)86(122)98-48-76(114)106-74(112)36-39-108-69-33-30-55-22-16-18-25-60(55)79(69)90(6,7)71(108)28-14-12-11-13-15-29-72-91(8,9)80-61-26-19-17-23-56(61)31-34-70(80)109(72)40-37-78(116)117/h11-31,33-34,45-46,51-54,62,64-68,81,95,110H,32,35-44,47-50,92H2,1-10H3,(H14-,93,94,96,97,98,99,100,101,102,103,104,105,106,107,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125)/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					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
Gastrin-releasing peptide receptor (RAT)	BDBM50112623 ((FITC-Q-W-A-V-G-H-L-M-NH2) | CHEMBL274327) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C64H76N14O14S2/c1-31(2)21-47(59(87)74-45(55(66)83)19-20-94-6)75-60(88)49(24-36-28-67-30-70-36)73-53(82)29-69-61(89)54(32(3)4)78-56(84)33(5)71-58(86)48(22-34-27-68-44-10-8-7-9-39(34)44)76-57(85)46(17-18-52(65)81)77-63(93)72-35-11-14-41-40(23-35)62(90)92-64(41)42-15-12-37(79)25-50(42)91-51-26-38(80)13-16-43(51)64/h7-16,23,25-28,30-33,45-49,54,68,79-80H,17-22,24,29H2,1-6H3,(H2,65,81)(H2,66,83)(H,67,70)(H,69,89)(H,71,86)(H,73,82)(H,74,87)(H,75,88)(H,76,85)(H,78,84)(H2,72,77,93)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					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
Gastrin-releasing peptide receptor (RAT)	BDBM50112643 ((DTPA-P-Q-R-Y-G-N-Q-W-A-V-G-H-L-M-NH2) | CHEMBL442...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCNC(N)=N)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C88H131N27O27S/c1-46(2)31-59(83(138)104-55(76(92)131)23-30-143-6)108-84(139)62(34-51-37-95-45-100-51)102-69(121)39-99-87(142)75(47(3)4)111-77(132)48(5)101-82(137)61(33-50-36-97-54-12-8-7-11-53(50)54)110-81(136)57(19-21-65(89)117)106-85(140)63(35-67(91)119)103-68(120)38-98-78(133)60(32-49-15-17-52(116)18-16-49)109-79(134)56(13-9-24-96-88(93)94)105-80(135)58(20-22-66(90)118)107-86(141)64-14-10-25-115(64)70(122)40-113(42-72(125)126)28-26-112(41-71(123)124)27-29-114(43-73(127)128)44-74(129)130/h7-8,11-12,15-18,36-37,45-48,55-64,75,97,116H,9-10,13-14,19-35,38-44H2,1-6H3,(H2,89,117)(H2,90,118)(H2,91,119)(H2,92,131)(H,95,100)(H,98,133)(H,99,142)(H,101,137)(H,102,121)(H,103,120)(H,104,138)(H,105,135)(H,106,140)(H,107,141)(H,108,139)(H,109,134)(H,110,136)(H,111,132)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H4,93,94,96)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112611 ((K-G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMBL405669) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(N)CCCCN)C(C)C)C(N)=O Show InChI InChI=1S/C56H88N18O14S/c1-29(2)19-39(54(86)71-37(48(60)80)16-18-89-6)72-55(87)41(21-33-23-61-28-66-33)69-45(78)26-65-56(88)47(30(3)4)74-49(81)31(5)67-53(85)40(20-32-22-62-36-13-8-7-11-34(32)36)73-52(84)38(14-15-43(59)76)68-44(77)25-64-51(83)42(27-75)70-46(79)24-63-50(82)35(58)12-9-10-17-57/h7-8,11,13,22-23,28-31,35,37-42,47,62,75H,9-10,12,14-21,24-27,57-58H2,1-6H3,(H2,59,76)(H2,60,80)(H,61,66)(H,63,82)(H,64,83)(H,65,88)(H,67,85)(H,68,77)(H,69,78)(H,70,79)(H,71,86)(H,72,87)(H,73,84)(H,74,81)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112640 ((epsilon-DTPA-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL21696...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C63H98N18O19S/c1-35(2)23-45(61(98)74-43(56(66)93)16-22-101-6)76-62(99)47(25-39-27-67-34-71-39)73-49(83)28-70-63(100)55(36(3)4)78-57(94)37(5)72-60(97)46(24-38-26-69-42-13-8-7-11-40(38)42)77-59(96)44(14-15-48(65)82)75-58(95)41(64)12-9-10-17-68-50(84)29-80(31-52(87)88)20-18-79(30-51(85)86)19-21-81(32-53(89)90)33-54(91)92/h7-8,11,13,26-27,34-37,41,43-47,55,69H,9-10,12,14-25,28-33,64H2,1-6H3,(H2,65,82)(H2,66,93)(H,67,71)(H,68,84)(H,70,100)(H,72,97)(H,73,83)(H,74,98)(H,75,95)(H,76,99)(H,77,96)(H,78,94)(H,85,86)(H,87,88)(H,89,90)(H,91,92)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112629 ((epsilon-FITC-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL38528...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C70H88N16O15S2/c1-35(2)25-52(65(96)82-50(60(73)91)22-24-103-6)84-66(97)54(28-40-32-74-34-78-40)81-58(90)33-77-67(98)59(36(3)4)86-61(92)37(5)79-64(95)53(26-38-31-76-49-13-8-7-11-43(38)49)85-63(94)51(20-21-57(72)89)83-62(93)48(71)12-9-10-23-75-69(102)80-39-14-17-45-44(27-39)68(99)101-70(45)46-18-15-41(87)29-55(46)100-56-30-42(88)16-19-47(56)70/h7-8,11,13-19,27,29-32,34-37,48,50-54,59,76,87-88H,9-10,12,20-26,28,33,71H2,1-6H3,(H2,72,89)(H2,73,91)(H,74,78)(H,77,98)(H,79,95)(H,81,90)(H,82,96)(H,83,93)(H,84,97)(H,85,94)(H,86,92)(H2,75,80,102)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112632 ((alpha-FITC-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL428280) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C70H88N16O15S2/c1-35(2)25-52(65(96)81-49(60(73)91)22-24-103-6)83-66(97)54(28-40-32-74-34-77-40)80-58(90)33-76-67(98)59(36(3)4)86-61(92)37(5)78-64(95)53(26-38-31-75-48-12-8-7-11-43(38)48)84-63(94)51(20-21-57(72)89)82-62(93)50(13-9-10-23-71)85-69(102)79-39-14-17-45-44(27-39)68(99)101-70(45)46-18-15-41(87)29-55(46)100-56-30-42(88)16-19-47(56)70/h7-8,11-12,14-19,27,29-32,34-37,49-54,59,75,87-88H,9-10,13,20-26,28,33,71H2,1-6H3,(H2,72,89)(H2,73,91)(H,74,77)(H,76,98)(H,78,95)(H,80,90)(H,81,96)(H,82,93)(H,83,97)(H,84,94)(H,86,92)(H2,79,85,102)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					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
Gastrin-releasing peptide receptor (RAT)	BDBM50112619 ((G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMBL408739) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CN)C(C)C)C(N)=O Show InChI InChI=1S/C50H76N16O13S/c1-25(2)15-34(48(77)63-32(43(53)72)13-14-80-6)64-49(78)36(17-29-20-54-24-58-29)61-41(71)22-57-50(79)42(26(3)4)66-44(73)27(5)59-47(76)35(16-28-19-55-31-10-8-7-9-30(28)31)65-46(75)33(11-12-38(52)68)60-40(70)21-56-45(74)37(23-67)62-39(69)18-51/h7-10,19-20,24-27,32-37,42,55,67H,11-18,21-23,51H2,1-6H3,(H2,52,68)(H2,53,72)(H,54,58)(H,56,74)(H,57,79)(H,59,76)(H,60,70)(H,61,71)(H,62,69)(H,63,77)(H,64,78)(H,65,75)(H,66,73)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112633 ((FITC-G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMBL385928) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C71H87N17O18S2/c1-34(2)21-50(66(101)85-48(61(73)96)19-20-108-6)86-67(102)52(24-39-28-74-33-79-39)83-58(94)30-77-68(103)60(35(3)4)88-62(97)36(5)80-65(100)51(22-37-27-75-47-10-8-7-9-42(37)47)87-64(99)49(17-18-56(72)92)82-57(93)29-76-63(98)53(32-89)84-59(95)31-78-70(107)81-38-11-14-44-43(23-38)69(104)106-71(44)45-15-12-40(90)25-54(45)105-55-26-41(91)13-16-46(55)71/h7-16,23,25-28,33-36,48-53,60,75,89-91H,17-22,24,29-32H2,1-6H3,(H2,72,92)(H2,73,96)(H,74,79)(H,76,98)(H,77,103)(H,80,100)(H,82,93)(H,83,94)(H,84,95)(H,85,101)(H,86,102)(H,87,99)(H,88,97)(H2,78,81,107)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112635 ((alpha,epsilon-(-FITC)2-K-Q-W-A-V-G-H-L-M-NH2) | C...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C91H99N17O20S3/c1-44(2)31-68(83(120)103-65(78(93)115)28-30-131-6)105-84(121)70(35-50-41-94-43-98-50)102-76(114)42-97-85(122)77(45(3)4)108-79(116)46(5)99-82(119)69(32-47-40-96-64-12-8-7-11-55(47)64)106-81(118)67(26-27-75(92)113)104-80(117)66(107-89(130)101-49-15-21-59-57(34-49)87(124)128-91(59)62-24-18-53(111)38-73(62)126-74-39-54(112)19-25-63(74)91)13-9-10-29-95-88(129)100-48-14-20-58-56(33-48)86(123)127-90(58)60-22-16-51(109)36-71(60)125-72-37-52(110)17-23-61(72)90/h7-8,11-12,14-25,33-34,36-41,43-46,65-70,77,96,109-112H,9-10,13,26-32,35,42H2,1-6H3,(H2,92,113)(H2,93,115)(H,94,98)(H,97,122)(H,99,119)(H,102,114)(H,103,120)(H,104,117)(H,105,121)(H,106,118)(H,108,116)(H2,95,100,129)(H2,101,107,130)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112620 ((epsilon-FITC-K-G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMB...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(N)CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C77H99N19O19S2/c1-38(2)25-55(72(110)93-53(66(80)104)22-24-117-6)94-73(111)57(28-43-32-81-37-87-43)91-63(102)35-86-74(112)65(39(3)4)96-67(105)40(5)88-71(109)56(26-41-31-83-52-13-8-7-11-46(41)52)95-70(108)54(20-21-61(79)100)90-62(101)34-85-69(107)58(36-97)92-64(103)33-84-68(106)51(78)12-9-10-23-82-76(116)89-42-14-17-48-47(27-42)75(113)115-77(48)49-18-15-44(98)29-59(49)114-60-30-45(99)16-19-50(60)77/h7-8,11,13-19,27,29-32,37-40,51,53-58,65,83,97-99H,9-10,12,20-26,28,33-36,78H2,1-6H3,(H2,79,100)(H2,80,104)(H,81,87)(H,84,106)(H,85,107)(H,86,112)(H,88,109)(H,90,101)(H,91,102)(H,92,103)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H2,82,89,116)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					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
Gastrin-releasing peptide receptor (RAT)	BDBM50112625 ((K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL269310) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(N)CCCCN)C(C)C)C(N)=O Show InChI InChI=1S/C49H77N15O10S/c1-26(2)19-36(47(72)60-34(42(53)67)16-18-75-6)62-48(73)38(21-30-23-54-25-57-30)59-40(66)24-56-49(74)41(27(3)4)64-43(68)28(5)58-46(71)37(20-29-22-55-33-13-8-7-11-31(29)33)63-45(70)35(14-15-39(52)65)61-44(69)32(51)12-9-10-17-50/h7-8,11,13,22-23,25-28,32,34-38,41,55H,9-10,12,14-21,24,50-51H2,1-6H3,(H2,52,65)(H2,53,67)(H,54,57)(H,56,74)(H,58,71)(H,59,66)(H,60,72)(H,61,69)(H,62,73)(H,63,70)(H,64,68)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					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
Gastrin-releasing peptide receptor (RAT)	BDBM50112627 ((alpha-FITC-epsilon-DOTA-K-Q-W-A-V-G-H-L-M-NH2) | ...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C86H114N20O22S2/c1-47(2)33-64(81(123)97-61(76(88)118)22-32-130-6)99-82(124)66(36-52-40-89-46-93-52)96-70(110)41-92-83(125)75(48(3)4)102-77(119)49(5)94-80(122)65(34-50-39-91-60-12-8-7-11-55(50)60)100-79(121)63(20-21-69(87)109)98-78(120)62(13-9-10-23-90-71(111)42-103-24-26-104(43-72(112)113)28-30-106(45-74(116)117)31-29-105(27-25-103)44-73(114)115)101-85(129)95-51-14-17-57-56(35-51)84(126)128-86(57)58-18-15-53(107)37-67(58)127-68-38-54(108)16-19-59(68)86/h7-8,11-12,14-19,35,37-40,46-49,61-66,75,91,107-108H,9-10,13,20-34,36,41-45H2,1-6H3,(H2,87,109)(H2,88,118)(H,89,93)(H,90,111)(H,92,125)(H,94,122)(H,96,110)(H,97,123)(H,98,120)(H,99,124)(H,100,121)(H,102,119)(H,112,113)(H,114,115)(H,116,117)(H2,95,101,129)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112646 ((alpha-FITC-K-G-S-G-Q-W-A-V-G-H-L-M-NH2) | CHEMBL4...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCN)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C77H99N19O19S2/c1-38(2)25-55(72(110)92-52(66(80)104)22-24-117-6)93-73(111)57(28-43-32-81-37-86-43)90-63(102)35-85-74(112)65(39(3)4)96-67(105)40(5)87-71(109)56(26-41-31-82-51-12-8-7-11-46(41)51)94-70(108)54(20-21-61(79)100)89-62(101)33-84-69(107)58(36-97)91-64(103)34-83-68(106)53(13-9-10-23-78)95-76(116)88-42-14-17-48-47(27-42)75(113)115-77(48)49-18-15-44(98)29-59(49)114-60-30-45(99)16-19-50(60)77/h7-8,11-12,14-19,27,29-32,37-40,52-58,65,82,97-99H,9-10,13,20-26,28,33-36,78H2,1-6H3,(H2,79,100)(H2,80,104)(H,81,86)(H,83,106)(H,84,107)(H,85,112)(H,87,109)(H,89,101)(H,90,102)(H,91,103)(H,92,110)(H,93,111)(H,94,108)(H,96,105)(H2,88,95,116)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112614 ((alpha-FITC-epsilon-DTPA-K-Q-W-A-V-G-H-L-M-NH2) | ...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)NC(=S)Nc1ccc2c(c1)C(=O)OC21C=C(CC(C)=O)Oc2cc(O)ccc12)C(C)C)C(N)=O |t:113| Show InChI InChI=1S/C83H111N19O24S2/c1-44(2)28-61(78(121)94-58(73(85)116)21-27-128-7)96-79(122)63(32-50-36-86-43-90-50)93-66(106)37-89-80(123)72(45(3)4)99-74(117)47(6)91-77(120)62(30-48-35-88-57-13-9-8-12-53(48)57)97-76(119)60(19-20-65(84)105)95-75(118)59(14-10-11-22-87-67(107)38-101(40-69(110)111)25-23-100(39-68(108)109)24-26-102(41-70(112)113)42-71(114)115)98-82(127)92-49-15-17-55-54(31-49)81(124)126-83(55)34-52(29-46(5)103)125-64-33-51(104)16-18-56(64)83/h8-9,12-13,15-18,31,33-36,43-45,47,58-63,72,88,104H,10-11,14,19-30,32,37-42H2,1-7H3,(H2,84,105)(H2,85,116)(H,86,90)(H,87,107)(H,89,123)(H,91,120)(H,93,106)(H,94,121)(H,95,118)(H,96,122)(H,97,119)(H,99,117)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H2,92,98,127)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112616 ((alpha,epsilon-(FITC)2-K-G-S-G-Q-W-A-V-G-H-L-M-NH2...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)CNC(=O)C(CO)NC(=O)CNC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(C)C)C(N)=O Show InChI InChI=1S/C98H110N20O24S3/c1-47(2)31-71(90(134)114-68(84(100)128)28-30-145-6)115-91(135)73(35-53-41-101-46-107-53)112-81(126)44-106-92(136)83(48(3)4)118-85(129)49(5)108-89(133)72(32-50-40-103-67-12-8-7-11-58(50)67)116-88(132)70(26-27-79(99)124)111-80(125)42-105-87(131)74(45-119)113-82(127)43-104-86(130)69(117-96(144)110-52-15-21-62-60(34-52)94(138)142-98(62)65-24-18-56(122)38-77(65)140-78-39-57(123)19-25-66(78)98)13-9-10-29-102-95(143)109-51-14-20-61-59(33-51)93(137)141-97(61)63-22-16-54(120)36-75(63)139-76-37-55(121)17-23-64(76)97/h7-8,11-12,14-25,33-34,36-41,46-49,68-74,83,103,119-123H,9-10,13,26-32,35,42-45H2,1-6H3,(H2,99,124)(H2,100,128)(H,101,107)(H,104,130)(H,105,131)(H,106,136)(H,108,133)(H,111,125)(H,112,126)(H,113,127)(H,114,134)(H,115,135)(H,116,132)(H,118,129)(H2,102,109,143)(H2,110,117,144)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20.5	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					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
Gastrin-releasing peptide receptor (RAT)	BDBM50112642 ((Q-W-A-V-G-H-L-M-NH2) | CHEMBL300318) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCC(N)=O)C(C)C)C(N)=O Show InChI InChI=1S/C43H65N13O9S/c1-22(2)15-31(41(63)53-30(37(46)59)13-14-66-6)55-42(64)33(17-26-19-47-21-50-26)52-35(58)20-49-43(65)36(23(3)4)56-38(60)24(5)51-40(62)32(54-39(61)28(44)11-12-34(45)57)16-25-18-48-29-10-8-7-9-27(25)29/h7-10,18-19,21-24,28,30-33,36,48H,11-17,20,44H2,1-6H3,(H2,45,57)(H2,46,59)(H,47,50)(H,49,65)(H,51,62)(H,52,58)(H,53,63)(H,54,61)(H,55,64)(H,56,60)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28.3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					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
Gastrin-releasing peptide receptor (RAT)	BDBM50112630 ((alpha,epsilon-(DTPA)2-K-Q-W-A-V-G-H-L-M-NH2) | CH...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C77H119N21O28S/c1-44(2)27-54(75(124)88-51(70(79)119)16-26-127-6)90-76(125)56(29-48-31-80-43-84-48)87-58(100)32-83-77(126)69(45(3)4)92-71(120)46(5)85-74(123)55(28-47-30-82-50-12-8-7-11-49(47)50)91-73(122)53(14-15-57(78)99)89-72(121)52(86-60(102)34-96(38-64(109)110)23-19-94(36-62(105)106)21-25-98(41-67(115)116)42-68(117)118)13-9-10-17-81-59(101)33-95(37-63(107)108)22-18-93(35-61(103)104)20-24-97(39-65(111)112)40-66(113)114/h7-8,11-12,30-31,43-46,51-56,69,82H,9-10,13-29,32-42H2,1-6H3,(H2,78,99)(H2,79,119)(H,80,84)(H,81,101)(H,83,126)(H,85,123)(H,86,102)(H,87,100)(H,88,124)(H,89,121)(H,90,125)(H,91,122)(H,92,120)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,117,118)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112621 ((alpha-DTPA-epsilon-FITC-K-Q-W-A-V-G-H-L-M-NH2) | ...) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C84H109N19O24S2/c1-44(2)29-61(79(122)96-58(74(86)117)22-28-129-6)98-80(123)63(32-49-36-87-43-91-49)95-67(107)37-90-81(124)73(45(3)4)100-75(118)46(5)92-78(121)62(30-47-35-89-57-12-8-7-11-52(47)57)99-77(120)60(20-21-66(85)106)97-76(119)59(94-68(108)38-102(40-70(111)112)26-24-101(39-69(109)110)25-27-103(41-71(113)114)42-72(115)116)13-9-10-23-88-83(128)93-48-14-17-54-53(31-48)82(125)127-84(54)55-18-15-50(104)33-64(55)126-65-34-51(105)16-19-56(65)84/h7-8,11-12,14-19,31,33-36,43-46,58-63,73,89,104-105H,9-10,13,20-30,32,37-42H2,1-6H3,(H2,85,106)(H2,86,117)(H,87,91)(H,90,124)(H,92,121)(H,94,108)(H,95,107)(H,96,122)(H,97,119)(H,98,123)(H,99,120)(H,100,118)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H2,88,93,128)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					More data for this Ligand-Target Pair
Gastrin-releasing peptide receptor (RAT)	BDBM50112622 ((alpha-DTPA-K-Q-W-A-V-G-H-L-M-NH2) | CHEMBL440609) Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C63H98N18O19S/c1-35(2)23-45(61(98)74-42(56(66)93)16-22-101-6)76-62(99)47(25-39-27-67-34-70-39)73-49(83)28-69-63(100)55(36(3)4)78-57(94)37(5)71-60(97)46(24-38-26-68-41-12-8-7-11-40(38)41)77-59(96)44(14-15-48(65)82)75-58(95)43(13-9-10-17-64)72-50(84)29-80(31-52(87)88)20-18-79(30-51(85)86)19-21-81(32-53(89)90)33-54(91)92/h7-8,11-12,26-27,34-37,42-47,55,68H,9-10,13-25,28-33,64H2,1-6H3,(H2,65,82)(H2,66,93)(H,67,70)(H,69,100)(H,71,97)(H,72,84)(H,73,83)(H,74,98)(H,75,95)(H,76,99)(H,77,96)(H,78,94)(H,85,86)(H,87,88)(H,89,90)(H,91,92)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description In vitro binding affinity of [111In]-DTPA-[Y4]-bombesin to bombesin receptor in the rat pancreatic acinar cell line, AR42J				J Med Chem 45: 2003-15 (2002) BindingDB Entry DOI: 10.7270/Q2CZ36GK
					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