Found 180 hits with Last Name = 'schindler' and Initial = 'l' 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 |
|---|
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246649
((R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-d...)Show SMILES CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12| Show InChI InChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1 | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of (R)-Na-Diphenylacetyl-Nomega[2-([2,3-3H]-propionylamino)ethyl]aminocarbonyl (4-hydroxybenzyl)-argininamide from NPY1R in human SK-N-M... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246649
((R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-d...)Show SMILES CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12| Show InChI InChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1 | PDB
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R (unknown origin) |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246648
((R)-1-((5-(4-hydroxybenzylamino)-4-(2,2-diphenylac...)Show SMILES CCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8| Show InChI InChI=1S/C30H36N6O4/c1-2-32-30(40)36-29(31)33-19-9-14-25(27(38)34-20-21-15-17-24(37)18-16-21)35-28(39)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-26,37H,2,9,14,19-20H2,1H3,(H,34,38)(H,35,39)(H4,31,32,33,36,40)/t25-/m1/s1 | PDB
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| 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R (unknown origin) |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500151
(CHEMBL3746386)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H41N7O5.2C2HF3O2/c1-2-28(42)35-20-21-37-33(45)40-32(34)36-19-9-14-27(30(43)38-22-23-15-17-26(41)18-16-23)39-31(44)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25;2*3-2(4,5)1(6)7/h3-8,10-13,15-18,27,29,41H,2,9,14,19-22H2,1H3,(H,35,42)(H,38,43)(H,39,44)(H4,34,36,37,40,45);2*(H,6,7)/t27-;;/m1../s1 | PDB
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| Article
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| 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of (R)-Na-Diphenylacetyl-Nomega[2-([2,3-3H]-propionylamino)ethyl]aminocarbonyl (4-hydroxybenzyl)-argininamide from NPY1R in human SK-N-M... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500151
(CHEMBL3746386)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H41N7O5.2C2HF3O2/c1-2-28(42)35-20-21-37-33(45)40-32(34)36-19-9-14-27(30(43)38-22-23-15-17-26(41)18-16-23)39-31(44)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25;2*3-2(4,5)1(6)7/h3-8,10-13,15-18,27,29,41H,2,9,14,19-22H2,1H3,(H,35,42)(H,38,43)(H,39,44)(H4,34,36,37,40,45);2*(H,6,7)/t27-;;/m1../s1 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in human HEL cells preincubated for 30 mins followed by radioligand addition at 60 to 90 mins by flow c... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246649
((R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-d...)Show SMILES CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12| Show InChI InChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1 | PDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in human HEL cells preincubated for 30 mins followed by radioligand addition at 60 to 90 mins by flow c... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50048908
(CHEMBL415788)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 | PDB
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| 0.129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246648
((R)-1-((5-(4-hydroxybenzylamino)-4-(2,2-diphenylac...)Show SMILES CCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8| Show InChI InChI=1S/C30H36N6O4/c1-2-32-30(40)36-29(31)33-19-9-14-25(27(38)34-20-21-15-17-24(37)18-16-21)35-28(39)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-26,37H,2,9,14,19-20H2,1H3,(H,34,38)(H,35,39)(H4,31,32,33,36,40)/t25-/m1/s1 | PDB
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| 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246649
((R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-d...)Show SMILES CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12| Show InChI InChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1 | PDB
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| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50502374
(CHEMBL4593174)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C39H66N12O8.3C2HF3O2/c1-6-23(4)31(35(56)49-29(37(58)59)20-22(2)3)50-33(54)28(21-24-13-15-25(52)16-14-24)48-34(55)30-12-9-19-51(30)36(57)27(11-8-18-46-39(42)43)47-32(53)26(44-5)10-7-17-45-38(40)41;3*3-2(4,5)1(6)7/h13-16,22-23,26-31,44,52H,6-12,17-21H2,1-5H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H4,40,41,45)(H4,42,43,46);3*(H,6,7)/t23-,26-,27-,28-,29-,30-,31-;;;/m0.../s1 | PDB
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| Article
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| 0.223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter |
ACS Med Chem Lett 10: 960-965 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00122
BindingDB Entry DOI: 10.7270/Q2BV7KWP |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500151
(CHEMBL3746386)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H41N7O5.2C2HF3O2/c1-2-28(42)35-20-21-37-33(45)40-32(34)36-19-9-14-27(30(43)38-22-23-15-17-26(41)18-16-23)39-31(44)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25;2*3-2(4,5)1(6)7/h3-8,10-13,15-18,27,29,41H,2,9,14,19-22H2,1H3,(H,35,42)(H,38,43)(H,39,44)(H4,34,36,37,40,45);2*(H,6,7)/t27-;;/m1../s1 | PDB
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| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in human SK-N-MC cells compound treated immediately post radioligand treatment measured after 2 hrs by ... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50048908
(CHEMBL415788)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 | PDB
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to human neurotensin receptor 1 |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246648
((R)-1-((5-(4-hydroxybenzylamino)-4-(2,2-diphenylac...)Show SMILES CCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8| Show InChI InChI=1S/C30H36N6O4/c1-2-32-30(40)36-29(31)33-19-9-14-25(27(38)34-20-21-15-17-24(37)18-16-21)35-28(39)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-26,37H,2,9,14,19-20H2,1H3,(H,34,38)(H,35,39)(H4,31,32,33,36,40)/t25-/m1/s1 | PDB
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in human HEL cells preincubated for 30 mins followed by radioligand addition at 60 to 90 mins by flow c... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50048908
(CHEMBL415788)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 | PDB
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| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to human NTS1R |
ACS Med Chem Lett 11: 334-339 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00388
BindingDB Entry DOI: 10.7270/Q2348PQN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246649
((R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-d...)Show SMILES CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12| Show InChI InChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1 | PDB
Reactome pathway
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| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in human SK-N-MC cells compound treated immediately post radioligand treatment measured after 2 hrs by ... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50502380
(CHEMBL4526200)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)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)C1CCC(=O)N1)C(=O)N[C@@H](CC(C)C)C(O)=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
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UniChem
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Antagonist activity at NSTR1 (unknown origin) assessed as inhibitory constant |
ACS Med Chem Lett 10: 960-965 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00122
BindingDB Entry DOI: 10.7270/Q2BV7KWP |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50502376
(CHEMBL4528687)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C39H66N12O8.3C2HF3O2/c1-6-23(4)31(34(55)48-28(37(58)59)20-22(2)3)49-32(53)27(21-24-13-15-25(52)16-14-24)47-33(54)29-12-9-19-51(29)36(57)30(11-8-18-46-39(43)44)50(5)35(56)26(40)10-7-17-45-38(41)42;3*3-2(4,5)1(6)7/h13-16,22-23,26-31,52H,6-12,17-21,40H2,1-5H3,(H,47,54)(H,48,55)(H,49,53)(H,58,59)(H4,41,42,45)(H4,43,44,46);3*(H,6,7)/t23-,26-,27-,28-,29-,30-,31-;;;/m0.../s1 | PDB
Reactome pathway
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antibodypedia
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| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter |
ACS Med Chem Lett 10: 960-965 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00122
BindingDB Entry DOI: 10.7270/Q2BV7KWP |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246648
((R)-1-((5-(4-hydroxybenzylamino)-4-(2,2-diphenylac...)Show SMILES CCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8| Show InChI InChI=1S/C30H36N6O4/c1-2-32-30(40)36-29(31)33-19-9-14-25(27(38)34-20-21-15-17-24(37)18-16-21)35-28(39)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-26,37H,2,9,14,19-20H2,1H3,(H,34,38)(H,35,39)(H4,31,32,33,36,40)/t25-/m1/s1 | PDB
Reactome pathway
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PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in human SK-N-MC cells compound treated immediately post radioligand treatment measured after 2 hrs by ... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500154
(CHEMBL3746870)Show SMILES CCOC(=O)CCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H40N6O6/c1-2-45-28(41)19-21-36-33(44)39-32(34)35-20-9-14-27(30(42)37-22-23-15-17-26(40)18-16-23)38-31(43)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-8,10-13,15-18,27,29,40H,2,9,14,19-22H2,1H3,(H,37,42)(H,38,43)(H4,34,35,36,39,44)/t27-/m1/s1 | PDB
Reactome pathway
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| PC cid
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| Article
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in HEL cells after 60 to 90 mins by flow cytometric analysis |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246649
((R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-d...)Show SMILES CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12| Show InChI InChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1 | PDB
Reactome pathway
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| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in HEL cells after 60 to 90 mins by flow cytometric analysis |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500151
(CHEMBL3746386)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCC(=O)NCCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H41N7O5.2C2HF3O2/c1-2-28(42)35-20-21-37-33(45)40-32(34)36-19-9-14-27(30(43)38-22-23-15-17-26(41)18-16-23)39-31(44)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25;2*3-2(4,5)1(6)7/h3-8,10-13,15-18,27,29,41H,2,9,14,19-22H2,1H3,(H,35,42)(H,38,43)(H,39,44)(H4,34,36,37,40,45);2*(H,6,7)/t27-;;/m1../s1 | PDB
Reactome pathway
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| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK136 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50048908
(CHEMBL415788)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 | PDB
Reactome pathway
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MCE
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UniChem
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| Article
PubMed
| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter |
ACS Med Chem Lett 10: 960-965 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00122
BindingDB Entry DOI: 10.7270/Q2BV7KWP |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500153
(CHEMBL3746851)Show SMILES OC(=O)C(F)(F)F.Cn1cc(CNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 |r| Show InChI InChI=1S/C32H37N9O4.C2HF3O2/c1-41-21-25(39-40-41)20-36-32(45)38-31(33)34-18-8-13-27(29(43)35-19-22-14-16-26(42)17-15-22)37-30(44)28(23-9-4-2-5-10-23)24-11-6-3-7-12-24;3-2(4,5)1(6)7/h2-7,9-12,14-17,21,27-28,42H,8,13,18-20H2,1H3,(H,35,43)(H,37,44)(H4,33,34,36,38,45);(H,6,7)/t27-;/m1./s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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| PC cid
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| Article
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| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK136 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246648
((R)-1-((5-(4-hydroxybenzylamino)-4-(2,2-diphenylac...)Show SMILES CCNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:8.8| Show InChI InChI=1S/C30H36N6O4/c1-2-32-30(40)36-29(31)33-19-9-14-25(27(38)34-20-21-15-17-24(37)18-16-21)35-28(39)26(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,15-18,25-26,37H,2,9,14,19-20H2,1H3,(H,34,38)(H,35,39)(H4,31,32,33,36,40)/t25-/m1/s1 | PDB
Reactome pathway
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Similars
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PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK136 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500157
(CHEMBL4299523)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96+,97+,98+,99+,100-,112-,113+,114-,115+,116+,117+,118+,119+,120+,121-,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,149+,150+,151+/m1/s1 | PDB
Reactome pathway
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| Article
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| 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of (R)-Na-Diphenylacetyl-Nomega[2-([2,3-3H]-propionylamino)ethyl]aminocarbonyl (4-hydroxybenzyl)-argininamide from NPY1R in human SK-N-M... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500157
(CHEMBL4299523)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96+,97+,98+,99+,100-,112-,113+,114-,115+,116+,117+,118+,119+,120+,121-,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,149+,150+,151+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of (R)-Na-Diphenylacetyl-Nomega[2-([2,3-3H]-propionylamino)ethyl]aminocarbonyl (4-hydroxybenzyl)-argininamide from NPY1R in human SK-N-M... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50246649
((R)-ethyl 2-(3-((5-(4-hydroxybenzylamino)-4-(2,2-d...)Show SMILES CCOC(=O)CNC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:12.12| Show InChI InChI=1S/C32H38N6O6/c1-2-44-27(40)21-36-32(43)38-31(33)34-19-9-14-26(29(41)35-20-22-15-17-25(39)18-16-22)37-30(42)28(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-8,10-13,15-18,26,28,39H,2,9,14,19-21H2,1H3,(H,35,41)(H,37,42)(H4,33,34,36,38,43)/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK136 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500154
(CHEMBL3746870)Show SMILES CCOC(=O)CCNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r| Show InChI InChI=1S/C33H40N6O6/c1-2-45-28(41)19-21-36-33(44)39-32(34)35-20-9-14-27(30(42)37-22-23-15-17-26(40)18-16-23)38-31(43)29(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-8,10-13,15-18,27,29,40H,2,9,14,19-22H2,1H3,(H,37,42)(H,38,43)(H4,34,35,36,39,44)/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK136 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509512
(CHEMBL4579623)Show SMILES [3H]CC([3H])C(=O)NCCCCNC(=O)NC(=N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C46H78N14O10/c1-6-28(5)37(41(66)57-34(43(68)69)25-27(3)4)58-39(64)33(26-29-16-18-30(61)19-17-29)56-40(65)35-15-12-24-60(35)42(67)32(14-11-22-52-44(48)49)55-38(63)31(47)13-10-23-53-45(50)59-46(70)54-21-9-8-20-51-36(62)7-2/h16-19,27-28,31-35,37,61H,6-15,20-26,47H2,1-5H3,(H,51,62)(H,55,63)(H,56,65)(H,57,66)(H,58,64)(H,68,69)(H4,48,49,52)(H4,50,53,54,59,70)/t28-,31-,32-,33-,34-,35-,37-/m0/s1/i2T,7T/t7?,28-,31-,32-,33-,34-,35-,37- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to human neurotensin receptor 1 |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500153
(CHEMBL3746851)Show SMILES OC(=O)C(F)(F)F.Cn1cc(CNC(=O)\N=C(\N)NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 |r| Show InChI InChI=1S/C32H37N9O4.C2HF3O2/c1-41-21-25(39-40-41)20-36-32(45)38-31(33)34-18-8-13-27(29(43)35-19-22-14-16-26(42)17-15-22)37-30(44)28(23-9-4-2-5-10-23)24-11-6-3-7-12-24;3-2(4,5)1(6)7/h2-7,9-12,14-17,21,27-28,42H,8,13,18-20H2,1H3,(H,35,43)(H,37,44)(H4,33,34,36,38,45);(H,6,7)/t27-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500157
(CHEMBL4299523)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96+,97+,98+,99+,100-,112-,113+,114-,115+,116+,117+,118+,119+,120+,121-,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,149+,150+,151+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in HEL cells after 60 to 90 mins by flow cytometric analysis |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50500157
(CHEMBL4299523)Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96+,97+,98+,99+,100-,112-,113+,114-,115+,116+,117+,118+,119+,120+,121-,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,149+,150+,151+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK136 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(Homo sapiens (Human)) | BDBM50048908
(CHEMBL415788)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8/c1-5-22(4)30(34(55)48-28(36(57)58)19-21(2)3)49-32(53)27(20-23-12-14-24(51)15-13-23)47-33(54)29-11-8-18-50(29)35(56)26(10-7-17-45-38(42)43)46-31(52)25(39)9-6-16-44-37(40)41/h12-15,21-22,25-30,51H,5-11,16-20,39H2,1-4H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45)/t22-,25-,26-,27-,28-,29-,30-/m0/s1 | Reactome pathway
KEGG
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| Purchase
CHEMBL
MCE
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| Article
PubMed
| 0.741 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509515
(CHEMBL4463399)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C64H97N15O11.4C2HF3O2/c1-9-42(4)55(59(84)74-53(61(86)87)37-41(2)3)75-57(82)52(40-46-22-26-49(80)27-23-46)73-58(83)54-19-14-31-79(54)60(85)51(18-13-28-69-62(66)67)72-56(81)50(65)17-12-29-70-63(68)76-64(88)71-30-33-89-35-36-90-34-32-78-43(5)38-47(39-44(78)6)16-11-10-15-45-20-24-48(25-21-45)77(7)8;4*3-2(4,5)1(6)7/h10-11,15-16,20-27,38-39,41-42,50-55H,9,12-14,17-19,28-37,40,65H2,1-8H3,(H13-,66,67,68,69,70,71,72,73,74,75,76,80,81,82,83,84,86,87,88);4*(H,6,7)/t42-,50-,51-,52-,53-,54-,55-;;;;/m0..../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.759 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50502382
(CHEMBL4567709)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(O)=O)C(C)(C)C |r| Show InChI InChI=1S/C39H66N12O8.3C2HF3O2/c1-22(2)20-28(36(58)59)49-34(56)30(39(3,4)5)50-32(54)27(21-23-13-15-24(52)16-14-23)48-33(55)29-12-9-19-51(29)35(57)26(11-8-18-46-38(42)43)47-31(53)25(44-6)10-7-17-45-37(40)41;3*3-2(4,5)1(6)7/h13-16,22,25-30,44,52H,7-12,17-21H2,1-6H3,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H,58,59)(H4,40,41,45)(H4,42,43,46);3*(H,6,7)/t25-,26-,27-,28-,29-,30+;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter |
ACS Med Chem Lett 10: 960-965 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00122
BindingDB Entry DOI: 10.7270/Q2BV7KWP |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(Homo sapiens (Human)) | BDBM50509508
(CHEMBL4534768)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99| Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.955 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50060728
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1 | PDB
Reactome pathway
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of (R)-Na-Diphenylacetyl-Nomega[2-([2,3-3H]-propionylamino)ethyl]aminocarbonyl (4-hydroxybenzyl)-argininamide from NPY1R in human SK-N-M... |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50502379
(CHEMBL4544373)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)CC)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C41H68N12O9.2C2HF3O2/c1-6-24(5)33(37(59)51-30(39(61)62)21-23(3)4)52-35(57)29(22-25-14-16-26(54)17-15-25)50-36(58)31-13-10-20-53(31)38(60)28(12-9-19-47-41(44)45)49-34(56)27(48-32(55)7-2)11-8-18-46-40(42)43;2*3-2(4,5)1(6)7/h14-17,23-24,27-31,33,54H,6-13,18-22H2,1-5H3,(H,48,55)(H,49,56)(H,50,58)(H,51,59)(H,52,57)(H,61,62)(H4,42,43,46)(H4,44,45,47);2*(H,6,7)/t24-,27-,28-,29-,30-,31-,33-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter |
ACS Med Chem Lett 10: 960-965 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00122
BindingDB Entry DOI: 10.7270/Q2BV7KWP |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 2
(Homo sapiens (Human)) | BDBM50509510
(CHEMBL4564746)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:89| Show InChI InChI=1S/C75H110N16O10.3C2HF3O2/c1-10-49(4)64(68(97)86-57(70(99)100)46-48(2)3)87-66(95)56(47-50-36-38-51(92)39-37-50)85-67(96)60-32-25-45-91(60)69(98)55(29-24-42-81-71(77)78)84-65(94)54(76)28-23-43-82-72(79)88-73(101)83-41-21-20-40-80-63(93)35-15-12-22-44-90-59-31-19-17-27-53(59)75(7,8)62(90)34-14-11-13-33-61-74(5,6)52-26-16-18-30-58(52)89(61)9;3*3-2(4,5)1(6)7/h11,13-14,16-19,26-27,30-31,33-34,36-39,48-49,54-57,60,64H,10,12,15,20-25,28-29,32,35,40-47,76H2,1-9H3,(H14-,77,78,79,80,81,82,83,84,85,86,87,88,92,93,94,95,96,97,99,100,101);3*(H,6,7)/t49-,54-,55-,56-,57-,60-,64-;;;/m0.../s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 2 in HEK293 cells homogenate incubated in dark after 30 mins by liquid scintillation co... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
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
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| Purchase
CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to human neurotensin receptor 1 |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50502375
(CHEMBL4452276)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C38H64N12O8.3C2HF3O2/c1-21(2)19-27(35(57)58)48-33(55)29(38(3,4)5)49-31(53)26(20-22-12-14-23(51)15-13-22)47-32(54)28-11-8-18-50(28)34(56)25(10-7-17-45-37(42)43)46-30(52)24(39)9-6-16-44-36(40)41;3*3-2(4,5)1(6)7/h12-15,21,24-29,51H,6-11,16-20,39H2,1-5H3,(H,46,52)(H,47,54)(H,48,55)(H,49,53)(H,57,58)(H4,40,41,44)(H4,42,43,45);3*(H,6,7)/t24-,25-,26-,27-,28-,29+;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter |
ACS Med Chem Lett 10: 960-965 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00122
BindingDB Entry DOI: 10.7270/Q2BV7KWP |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509511
(CHEMBL4457798)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83| Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509515
(CHEMBL4463399)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCC[n+]1c(C)cc(\C=C\C=C\c2ccc(cc2)N(C)C)cc1C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C64H97N15O11.4C2HF3O2/c1-9-42(4)55(59(84)74-53(61(86)87)37-41(2)3)75-57(82)52(40-46-22-26-49(80)27-23-46)73-58(83)54-19-14-31-79(54)60(85)51(18-13-28-69-62(66)67)72-56(81)50(65)17-12-29-70-63(68)76-64(88)71-30-33-89-35-36-90-34-32-78-43(5)38-47(39-44(78)6)16-11-10-15-45-20-24-48(25-21-45)77(7)8;4*3-2(4,5)1(6)7/h10-11,15-16,20-27,38-39,41-42,50-55H,9,12-14,17-19,28-37,40,65H2,1-8H3,(H13-,66,67,68,69,70,71,72,73,74,75,76,80,81,82,83,84,86,87,88);4*(H,6,7)/t42-,50-,51-,52-,53-,54-,55-;;;;/m0..../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509511
(CHEMBL4457798)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:83| Show InChI InChI=1S/C78H116N16O16S2.2C2HF3O2/c1-9-51(4)67(71(100)89-60(73(102)103)47-50(2)3)90-69(98)59(48-52-33-35-53(95)36-34-52)88-70(99)63-29-24-45-94(63)72(101)58(27-23-41-84-74(80)81)87-68(97)57(79)26-22-42-85-75(82)91-76(104)86-40-18-17-39-83-66(96)32-14-11-19-43-93-62-38-37-54(112(108,109)110)49-56(62)78(7,8)65(93)31-13-10-12-30-64-77(5,6)55-25-15-16-28-61(55)92(64)44-20-21-46-111(105,106)107;2*3-2(4,5)1(6)7/h10,12-13,15-16,25,28,30-31,33-38,49-51,57-60,63,67H,9,11,14,17-24,26-27,29,32,39-48,79H2,1-8H3,(H16-,80,81,82,83,84,85,86,87,88,89,90,91,95,96,97,98,99,100,102,103,104,105,106,107,108,109,110);2*(H,6,7)/t51-,57-,58-,59-,60-,63-,67-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509513
(CHEMBL4537266)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 stably expressed in CHO cells incubated in dark after 30 mins by liquid scintillation... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50060728
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
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UniChem
Patents
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]propionyl-pNPY from NPY1R in HEL cells after 60 to 90 mins by flow cytometric analysis |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50060728
((R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-hyd...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6](-c1ccccc1)-c1ccccc1)-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])cc1 |r| Show InChI InChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| Purchase
CHEMBL
MCE
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UniChem
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| Article
PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS/IPBS (Institut de Pharmacologie et Biologie Structurale)
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK136 from NPY1R in human SK-N-MC cells by radioligand binding assay |
J Med Chem 58: 8834-49 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00925
BindingDB Entry DOI: 10.7270/Q2RN3BVG |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50502378
(CHEMBL4541665)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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)N(C)C(=O)[C@@H](N)CCCNC(N)=N)C(C)(C)C)C(O)=O |r| Show InChI InChI=1S/C39H66N12O8.3C2HF3O2/c1-22(2)20-27(36(58)59)48-33(55)30(39(3,4)5)49-31(53)26(21-23-13-15-24(52)16-14-23)47-32(54)28-12-9-19-51(28)35(57)29(11-8-18-46-38(43)44)50(6)34(56)25(40)10-7-17-45-37(41)42;3*3-2(4,5)1(6)7/h13-16,22,25-30,52H,7-12,17-21,40H2,1-6H3,(H,47,54)(H,48,55)(H,49,53)(H,58,59)(H4,41,42,45)(H4,43,44,46);3*(H,6,7)/t25-,26-,27-,28-,29-,30+;;;/m0.../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK300 from human NSTR1 in HT-29 cells incubated for 2 hrs by liquid scintillation counter |
ACS Med Chem Lett 10: 960-965 (2019)
Article DOI: 10.1021/acsmedchemlett.9b00122
BindingDB Entry DOI: 10.7270/Q2BV7KWP |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509513
(CHEMBL4537266)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)C(C)(C)c2cc(ccc12)S(O)(=O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:87| Show InChI InChI=1S/C80H120N16O18S2.2C2HF3O2/c1-9-53(4)69(73(102)91-62(75(104)105)49-52(2)3)92-71(100)61(50-54-31-33-55(97)34-32-54)90-72(101)65-27-22-43-96(65)74(103)60(25-21-37-86-76(82)83)89-70(99)59(81)24-20-38-87-77(84)93-78(106)88-40-45-114-47-46-113-44-39-85-68(98)30-14-11-17-41-95-64-36-35-56(116(110,111)112)51-58(64)80(7,8)67(95)29-13-10-12-28-66-79(5,6)57-23-15-16-26-63(57)94(66)42-18-19-48-115(107,108)109;2*3-2(4,5)1(6)7/h10,12-13,15-16,23,26,28-29,31-36,51-53,59-62,65,69H,9,11,14,17-22,24-25,27,30,37-50,81H2,1-8H3,(H16-,82,83,84,85,86,87,88,89,90,91,92,93,97,98,99,100,101,102,104,105,106,107,108,109,110,111,112);2*(H,6,7)/t53-,59-,60-,61-,62-,65-,69-;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50509508
(CHEMBL4534768)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(=N)NC(=O)NCCOCCOCCNC(=O)CCCCCN1\C(=C\C=C\C=C\C2=[N+](C)c3ccccc3C2(C)C)C(C)(C)c2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O |r,c:99| Show InChI InChI=1S/C77H114N16O12.4C2HF3O2/c1-10-51(4)66(70(99)88-59(72(101)102)48-50(2)3)89-68(97)58(49-52-34-36-53(94)37-35-52)87-69(98)62-30-23-43-93(62)71(100)57(27-22-38-83-73(79)80)86-67(96)56(78)26-21-39-84-74(81)90-75(103)85-41-45-105-47-46-104-44-40-82-65(95)33-15-12-20-42-92-61-29-19-17-25-55(61)77(7,8)64(92)32-14-11-13-31-63-76(5,6)54-24-16-18-28-60(54)91(63)9;4*3-2(4,5)1(6)7/h11,13-14,16-19,24-25,28-29,31-32,34-37,50-51,56-59,62,66H,10,12,15,20-23,26-27,30,33,38-49,78H2,1-9H3,(H14-,79,80,81,82,83,84,85,86,87,88,89,90,94,95,96,97,98,99,101,102,103);4*(H,6,7)/t51-,56-,57-,58-,59-,62-,66-;;;;/m0..../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H] UR-MK300 from human neurotensin receptor 1 expressed in HT-29 cells incubated in dark after 30 mins by liquid scintillation coun... |
ACS Med Chem Lett 11: 16-22 (2020)
Article DOI: 10.1021/acsmedchemlett.9b00462
BindingDB Entry DOI: 10.7270/Q2SF30GN |
More data for this
Ligand-Target Pair | |
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