Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50032180 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)) | BDBM50325605
((R)-methyl 8-(3-(4-(2,2-diphenylacetamido)-5-(4-hy...)Show SMILES COC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.15| Show InChI InChI=1S/C36H45N5O6/c1-47-32(44)19-11-3-2-10-18-31(43)41-36(37)38-24-12-17-30(34(45)39-25-26-20-22-29(42)23-21-26)40-35(46)33(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-9,13-16,20-23,30,33,42H,2-3,10-12,17-19,24-25H2,1H3,(H,39,45)(H,40,46)(H3,37,38,41,43)/t30-/m1/s1 | PDB
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| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
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
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PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325608
((R)-1-[4-(2,2-Diphenylacetamido)-5-(4-hydroxybenzy...)Show SMILES NC(NC(=O)CCCn1cc(CO)nn1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:15.16| Show InChI InChI=1S/C34H40N8O5/c35-34(39-30(45)14-8-20-42-22-27(23-43)40-41-42)36-19-7-13-29(32(46)37-21-24-15-17-28(44)18-16-24)38-33(47)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-12,15-18,22,29,31,43-44H,7-8,13-14,19-21,23H2,(H,37,46)(H,38,47)(H3,35,36,39,45)/t29-/m1/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325609
((R)-2-{4-[4-(Ammoniomethyl)-1H-1,2,3-triazol-1-yl]...)Show SMILES NCc1cn(CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1 |r,w:13.13| Show InChI InChI=1S/C34H41N9O4/c35-21-27-23-43(42-41-27)20-8-14-30(45)40-34(36)37-19-7-13-29(32(46)38-22-24-15-17-28(44)18-16-24)39-33(47)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-12,15-18,23,29,31,44H,7-8,13-14,19-22,35H2,(H,38,46)(H,39,47)(H3,36,37,40,45)/t29-/m1/s1 | PDB
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PubMed
| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325604
((R)-benzyl 4-(2,2-diphenylacetamido)-1-(4-hydroxyp...)Show SMILES NC(NC(=O)CCCCCCC(=O)NCCC(=O)OCc1ccccc1)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:26.27| Show InChI InChI=1S/C45H54N6O7/c46-45(51-40(54)23-13-2-1-12-22-39(53)47-30-28-41(55)58-32-34-15-6-3-7-16-34)48-29-14-21-38(43(56)49-31-33-24-26-37(52)27-25-33)50-44(57)42(35-17-8-4-9-18-35)36-19-10-5-11-20-36/h3-11,15-20,24-27,38,42,52H,1-2,12-14,21-23,28-32H2,(H,47,53)(H,49,56)(H,50,57)(H3,46,48,51,54)/t38-/m1/s1 | PDB
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PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325610
((13R)-13-(4-Hydroxybenzylcarbamoyl)-3,6,15-trioxo-...)Show SMILES NC(NC(=O)CCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:21.22| Show InChI InChI=1S/C37H45N5O11/c38-37(42-28(44)17-18-29(45)52-21-27-31(46)32(47)33(48)36(51)53-27)39-19-7-12-26(34(49)40-20-22-13-15-25(43)16-14-22)41-35(50)30(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-16,26-27,30-33,36,43,46-48,51H,7,12,17-21H2,(H,40,49)(H,41,50)(H3,38,39,42,44)/t26-,27-,31+,32+,33-,36-/m1/s1 | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325613
((R)-18-Amino-4-(2,2-diphenylacetamido)-1-(4-hydrox...)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#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/C34H44N8O4/c35-33(36)38-21-9-3-8-16-29(44)42-34(37)39-22-10-15-28(31(45)40-23-24-17-19-27(43)20-18-24)41-32(46)30(25-11-4-1-5-12-25)26-13-6-2-7-14-26/h1-2,4-7,11-14,17-20,28,30,43H,3,8-10,15-16,21-23H2,(H,40,45)(H,41,46)(H4,35,36,38)(H3,37,39,42,44)/t28-/m1/s1 | PDB
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PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325603
(CHEMBL1223990 | N-((R)-4-(2,2-diphenylacetamido)-1...)Show SMILES NC(NC(=O)COCCOCCOCC(=O)NCCNC(=O)C1=C2C=Cc3cccc4CC=C(C=C1)C2c34)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:38.42,c:22,24,34,t:32| Show InChI InChI=1S/C54H59N7O9/c55-54(58-26-8-15-45(52(66)59-33-36-16-22-42(62)23-17-36)60-53(67)49(37-9-3-1-4-10-37)38-11-5-2-6-12-38)61-47(64)35-70-32-30-68-29-31-69-34-46(63)56-27-28-57-51(65)44-25-21-41-19-18-39-13-7-14-40-20-24-43(44)50(41)48(39)40/h1-7,9-14,16-17,19-25,45,49-50,62H,8,15,18,26-35H2,(H,56,63)(H,57,65)(H,59,66)(H,60,67)(H3,55,58,61,64)/t45-,50?/m1/s1 | PDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325611
((R)-21-Carboxy-4-(2,2-diphenylacetamido)-1-(4-hydr...)Show SMILES NC(NC(=O)CCCCCCC(=O)NCCC(O)=O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:19.19| Show InChI InChI=1S/C38H48N6O7/c39-38(44-33(47)18-10-2-1-9-17-32(46)40-25-23-34(48)49)41-24-11-16-31(36(50)42-26-27-19-21-30(45)22-20-27)43-37(51)35(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3-8,12-15,19-22,31,35,45H,1-2,9-11,16-18,23-26H2,(H,40,46)(H,42,50)(H,43,51)(H,48,49)(H3,39,41,44,47)/t31-/m1/s1 | PDB
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| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325606
((4R,12R,13S,14R,15R)-12,13,14,15-Tetraacetoxy-4-(2...)Show SMILES CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:30.30| Show InChI InChI=1S/C43H51N5O14/c1-25(49)58-24-35(59-26(2)50)37(60-27(3)51)38(61-28(4)52)39(62-29(5)53)42(57)48-43(44)45-22-12-17-34(40(55)46-23-30-18-20-33(54)21-19-30)47-41(56)36(31-13-8-6-9-14-31)32-15-10-7-11-16-32/h6-11,13-16,18-21,34-39,54H,12,17,22-24H2,1-5H3,(H,46,55)(H,47,56)(H3,44,45,48,57)/t34-,35-,37-,38+,39-/m1/s1 | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325612
((R)-4-(2,2-Diphenylacetamido)-1-(4-hydroxyphenyl)-...)Show SMILES NC(=O)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:19.19| Show InChI InChI=1S/C38H49N7O6/c39-32(47)23-25-41-33(48)17-9-1-2-10-18-34(49)45-38(40)42-24-11-16-31(36(50)43-26-27-19-21-30(46)22-20-27)44-37(51)35(28-12-5-3-6-13-28)29-14-7-4-8-15-29/h3-8,12-15,19-22,31,35,46H,1-2,9-11,16-18,23-26H2,(H2,39,47)(H,41,48)(H,43,50)(H,44,51)(H3,40,42,45,49)/t31-/m1/s1 | PDB
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| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325607
((R)-21-(4-Hydroxybenzylcarbamoyl)-3,7,14,23-tetrao...)Show SMILES COC(=O)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:20.20| Show InChI InChI=1S/C39H50N6O7/c1-52-35(49)24-26-41-33(47)18-10-2-3-11-19-34(48)45-39(40)42-25-12-17-32(37(50)43-27-28-20-22-31(46)23-21-28)44-38(51)36(29-13-6-4-7-14-29)30-15-8-5-9-16-30/h4-9,13-16,20-23,32,36,46H,2-3,10-12,17-19,24-27H2,1H3,(H,41,47)(H,43,50)(H,44,51)(H3,40,42,45,48)/t32-/m1/s1 | PDB
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PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325602
((R)-2-(2,2-diphenylacetamido)-N-(4-hydroxybenzyl)-...)Show SMILES NC(NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:24.28| Show InChI InChI=1S/C47H45N5O4/c48-47(52-41(54)18-8-14-32-21-22-37-24-23-35-15-7-16-36-25-28-39(32)44(37)42(35)36)49-29-9-17-40(45(55)50-30-31-19-26-38(53)27-20-31)51-46(56)43(33-10-3-1-4-11-33)34-12-5-2-6-13-34/h1-7,10-13,15-16,19-28,40,43,53H,8-9,14,17-18,29-30H2,(H,50,55)(H,51,56)(H3,48,49,52,54)/t40-/m1/s1 | PDB
Reactome pathway
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PubMed
| 270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325601
((R)-N-(N-(4-(2,2-diphenylacetamido)-5-(4-hydroxybe...)Show SMILES CCCCCCCCCCCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:20.20| Show InChI InChI=1S/C43H61N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-27-39(50)48-43(44)45-32-21-26-38(41(51)46-33-34-28-30-37(49)31-29-34)47-42(52)40(35-22-16-14-17-23-35)36-24-18-15-19-25-36/h14-19,22-25,28-31,38,40,49H,2-13,20-21,26-27,32-33H2,1H3,(H,46,51)(H,47,52)(H3,44,45,48,50)/t38-/m1/s1 | PDB
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PubMed
| 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 1
(Homo sapiens (Human)) | BDBM50325600
((R)-N-(N-(4-(2,2-diphenylacetamido)-5-(4-hydroxybe...)Show SMILES CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 |r,w:29.29| Show InChI InChI=1S/C52H71N5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-36-48(59)57-52(53)54-41-30-35-47(50(60)55-42-43-37-39-46(58)40-38-43)56-51(61)49(44-31-25-23-26-32-44)45-33-27-24-28-34-45/h23-28,31-34,37-40,47,49,58H,2-12,17-22,29-30,35-36,41-42H2,1H3,(H,55,60)(H,56,61)(H3,53,54,57,59)/t47-/m1/s1 | PDB
Reactome pathway
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UniChem
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| Article
PubMed
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Regensburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells |
Bioorg Med Chem 18: 6292-304 (2010)
Article DOI: 10.1016/j.bmc.2010.07.028
BindingDB Entry DOI: 10.7270/Q2416X87 |
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Ligand-Target Pair | |
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