Found 3 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50441955' 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 2
(Homo sapiens (Human)) | BDBM50441955
(CHEMBL2440185)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](CCCN=C(N)N)NC(C)=O)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](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,96.97,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,107.108,(19.2,-17.88,;19.2,-16.34,;20.54,-15.57,;21.87,-16.34,;20.54,-14.03,;19.2,-13.26,;17.86,-14.03,;17.86,-15.57,;16.54,-13.26,;16.54,-11.72,;17.86,-10.95,;19.2,-11.72,;20.54,-10.95,;20.54,-9.41,;21.87,-8.64,;19.2,-8.64,;17.86,-9.41,;15.2,-14.03,;13.87,-13.26,;13.87,-11.72,;12.53,-14.03,;12.53,-15.57,;13.87,-16.34,;15.27,-15.72,;16.3,-16.86,;15.53,-18.2,;14.03,-17.88,;11.2,-13.26,;9.87,-14.03,;9.87,-15.57,;8.53,-13.26,;8.53,-11.72,;9.87,-10.95,;9.87,-9.41,;11.2,-8.64,;11.2,-7.1,;9.87,-6.33,;12.53,-6.33,;7.2,-14.03,;5.87,-13.27,;4.53,-14.04,;5.86,-11.73,;21.87,-13.26,;21.87,-11.72,;23.2,-14.03,;24.53,-13.26,;24.53,-11.72,;25.87,-10.95,;27.21,-11.72,;25.87,-9.41,;25.87,-14.03,;25.87,-15.57,;27.21,-13.26,;28.54,-14.03,;28.54,-15.57,;29.87,-16.34,;29.87,-17.88,;31.2,-15.57,;29.87,-13.26,;29.87,-11.72,;31.2,-14.03,;32.54,-13.26,;32.54,-11.72,;33.88,-10.95,;31.2,-10.95,;31.2,-9.41,;33.88,-14.03,;33.88,-15.57,;35.2,-13.26,;36.54,-14.03,;36.54,-15.57,;35.2,-16.34,;37.87,-16.34,;37.87,-13.26,;37.87,-11.72,;39.21,-14.03,;40.54,-13.26,;40.54,-11.72,;41.87,-10.95,;41.87,-9.41,;43.21,-8.64,;43.21,-7.1,;41.87,-6.33,;44.54,-6.33,;41.87,-14.03,;41.87,-15.57,;43.21,-13.26,;44.54,-14.03,;44.54,-15.57,;45.88,-16.34,;45.88,-17.88,;44.54,-18.65,;47.21,-18.65,;45.88,-13.26,;45.88,-11.72,;47.21,-14.03,;48.54,-13.26,;48.54,-11.72,;49.88,-10.95,;49.88,-9.41,;51.21,-8.64,;51.21,-7.1,;49.88,-6.33,;52.54,-6.33,;49.88,-14.03,;49.88,-15.57,;51.21,-13.26,;52.54,-14.03,;52.54,-15.57,;53.87,-16.34,;55.21,-15.57,;56.55,-16.34,;56.55,-17.88,;57.88,-18.65,;55.21,-18.65,;53.87,-17.88,;53.88,-13.26,;55.21,-14.03,;53.88,-11.72,)| Show InChI InChI=1S/C75H120N26O18/c1-9-38(5)58(99-69(116)53(32-43-19-23-46(105)24-20-43)96-66(113)54(33-44-35-85-36-89-44)97-62(109)47(90-41(8)103)14-11-27-86-73(79)80)70(117)98-55(34-57(77)107)67(114)95-52(30-37(3)4)68(115)100-59(39(6)10-2)71(118)101-60(40(7)102)72(119)93-49(16-13-29-88-75(83)84)63(110)92-50(25-26-56(76)106)65(112)91-48(15-12-28-87-74(81)82)64(111)94-51(61(78)108)31-42-17-21-45(104)22-18-42/h17-24,35-40,47-55,58-60,102,104-105H,9-16,25-34H2,1-8H3,(H2,76,106)(H2,77,107)(H2,78,108)(H,85,89)(H,90,103)(H,91,112)(H,92,110)(H,93,119)(H,94,111)(H,95,114)(H,96,113)(H,97,109)(H,98,117)(H,99,116)(H,100,115)(H,101,118)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.10 | 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 Y2 receptor expressed in human SMS-KAN cells by radioligand binding assay |
J Med Chem 56: 8422-31 (2013)
Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50441955
(CHEMBL2440185)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](CCCN=C(N)N)NC(C)=O)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](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,96.97,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,107.108,(19.2,-17.88,;19.2,-16.34,;20.54,-15.57,;21.87,-16.34,;20.54,-14.03,;19.2,-13.26,;17.86,-14.03,;17.86,-15.57,;16.54,-13.26,;16.54,-11.72,;17.86,-10.95,;19.2,-11.72,;20.54,-10.95,;20.54,-9.41,;21.87,-8.64,;19.2,-8.64,;17.86,-9.41,;15.2,-14.03,;13.87,-13.26,;13.87,-11.72,;12.53,-14.03,;12.53,-15.57,;13.87,-16.34,;15.27,-15.72,;16.3,-16.86,;15.53,-18.2,;14.03,-17.88,;11.2,-13.26,;9.87,-14.03,;9.87,-15.57,;8.53,-13.26,;8.53,-11.72,;9.87,-10.95,;9.87,-9.41,;11.2,-8.64,;11.2,-7.1,;9.87,-6.33,;12.53,-6.33,;7.2,-14.03,;5.87,-13.27,;4.53,-14.04,;5.86,-11.73,;21.87,-13.26,;21.87,-11.72,;23.2,-14.03,;24.53,-13.26,;24.53,-11.72,;25.87,-10.95,;27.21,-11.72,;25.87,-9.41,;25.87,-14.03,;25.87,-15.57,;27.21,-13.26,;28.54,-14.03,;28.54,-15.57,;29.87,-16.34,;29.87,-17.88,;31.2,-15.57,;29.87,-13.26,;29.87,-11.72,;31.2,-14.03,;32.54,-13.26,;32.54,-11.72,;33.88,-10.95,;31.2,-10.95,;31.2,-9.41,;33.88,-14.03,;33.88,-15.57,;35.2,-13.26,;36.54,-14.03,;36.54,-15.57,;35.2,-16.34,;37.87,-16.34,;37.87,-13.26,;37.87,-11.72,;39.21,-14.03,;40.54,-13.26,;40.54,-11.72,;41.87,-10.95,;41.87,-9.41,;43.21,-8.64,;43.21,-7.1,;41.87,-6.33,;44.54,-6.33,;41.87,-14.03,;41.87,-15.57,;43.21,-13.26,;44.54,-14.03,;44.54,-15.57,;45.88,-16.34,;45.88,-17.88,;44.54,-18.65,;47.21,-18.65,;45.88,-13.26,;45.88,-11.72,;47.21,-14.03,;48.54,-13.26,;48.54,-11.72,;49.88,-10.95,;49.88,-9.41,;51.21,-8.64,;51.21,-7.1,;49.88,-6.33,;52.54,-6.33,;49.88,-14.03,;49.88,-15.57,;51.21,-13.26,;52.54,-14.03,;52.54,-15.57,;53.87,-16.34,;55.21,-15.57,;56.55,-16.34,;56.55,-17.88,;57.88,-18.65,;55.21,-18.65,;53.87,-17.88,;53.88,-13.26,;55.21,-14.03,;53.88,-11.72,)| Show InChI InChI=1S/C75H120N26O18/c1-9-38(5)58(99-69(116)53(32-43-19-23-46(105)24-20-43)96-66(113)54(33-44-35-85-36-89-44)97-62(109)47(90-41(8)103)14-11-27-86-73(79)80)70(117)98-55(34-57(77)107)67(114)95-52(30-37(3)4)68(115)100-59(39(6)10-2)71(118)101-60(40(7)102)72(119)93-49(16-13-29-88-75(83)84)63(110)92-50(25-26-56(76)106)65(112)91-48(15-12-28-87-74(81)82)64(111)94-51(61(78)108)31-42-17-21-45(104)22-18-42/h17-24,35-40,47-55,58-60,102,104-105H,9-16,25-34H2,1-8H3,(H2,76,106)(H2,77,107)(H2,78,108)(H,85,89)(H,90,103)(H,91,112)(H,92,110)(H,93,119)(H,94,111)(H,95,114)(H,96,113)(H,97,109)(H,98,117)(H,99,116)(H,100,115)(H,101,118)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.51E+3 | 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 Cy5-pNPY from human Y2 receptor expressed in CHO cells after 90 to 120 mins by flow cytometry |
J Med Chem 56: 8422-31 (2013)
Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50441955
(CHEMBL2440185)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](CCCN=C(N)N)NC(C)=O)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](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r,wU:30.39,8.17,2.2,45.46,61.62,76.77,96.97,wD:20.28,4.4,53.54,62.64,69.70,70.73,87.88,107.108,(19.2,-17.88,;19.2,-16.34,;20.54,-15.57,;21.87,-16.34,;20.54,-14.03,;19.2,-13.26,;17.86,-14.03,;17.86,-15.57,;16.54,-13.26,;16.54,-11.72,;17.86,-10.95,;19.2,-11.72,;20.54,-10.95,;20.54,-9.41,;21.87,-8.64,;19.2,-8.64,;17.86,-9.41,;15.2,-14.03,;13.87,-13.26,;13.87,-11.72,;12.53,-14.03,;12.53,-15.57,;13.87,-16.34,;15.27,-15.72,;16.3,-16.86,;15.53,-18.2,;14.03,-17.88,;11.2,-13.26,;9.87,-14.03,;9.87,-15.57,;8.53,-13.26,;8.53,-11.72,;9.87,-10.95,;9.87,-9.41,;11.2,-8.64,;11.2,-7.1,;9.87,-6.33,;12.53,-6.33,;7.2,-14.03,;5.87,-13.27,;4.53,-14.04,;5.86,-11.73,;21.87,-13.26,;21.87,-11.72,;23.2,-14.03,;24.53,-13.26,;24.53,-11.72,;25.87,-10.95,;27.21,-11.72,;25.87,-9.41,;25.87,-14.03,;25.87,-15.57,;27.21,-13.26,;28.54,-14.03,;28.54,-15.57,;29.87,-16.34,;29.87,-17.88,;31.2,-15.57,;29.87,-13.26,;29.87,-11.72,;31.2,-14.03,;32.54,-13.26,;32.54,-11.72,;33.88,-10.95,;31.2,-10.95,;31.2,-9.41,;33.88,-14.03,;33.88,-15.57,;35.2,-13.26,;36.54,-14.03,;36.54,-15.57,;35.2,-16.34,;37.87,-16.34,;37.87,-13.26,;37.87,-11.72,;39.21,-14.03,;40.54,-13.26,;40.54,-11.72,;41.87,-10.95,;41.87,-9.41,;43.21,-8.64,;43.21,-7.1,;41.87,-6.33,;44.54,-6.33,;41.87,-14.03,;41.87,-15.57,;43.21,-13.26,;44.54,-14.03,;44.54,-15.57,;45.88,-16.34,;45.88,-17.88,;44.54,-18.65,;47.21,-18.65,;45.88,-13.26,;45.88,-11.72,;47.21,-14.03,;48.54,-13.26,;48.54,-11.72,;49.88,-10.95,;49.88,-9.41,;51.21,-8.64,;51.21,-7.1,;49.88,-6.33,;52.54,-6.33,;49.88,-14.03,;49.88,-15.57,;51.21,-13.26,;52.54,-14.03,;52.54,-15.57,;53.87,-16.34,;55.21,-15.57,;56.55,-16.34,;56.55,-17.88,;57.88,-18.65,;55.21,-18.65,;53.87,-17.88,;53.88,-13.26,;55.21,-14.03,;53.88,-11.72,)| Show InChI InChI=1S/C75H120N26O18/c1-9-38(5)58(99-69(116)53(32-43-19-23-46(105)24-20-43)96-66(113)54(33-44-35-85-36-89-44)97-62(109)47(90-41(8)103)14-11-27-86-73(79)80)70(117)98-55(34-57(77)107)67(114)95-52(30-37(3)4)68(115)100-59(39(6)10-2)71(118)101-60(40(7)102)72(119)93-49(16-13-29-88-75(83)84)63(110)92-50(25-26-56(76)106)65(112)91-48(15-12-28-87-74(81)82)64(111)94-51(61(78)108)31-42-17-21-45(104)22-18-42/h17-24,35-40,47-55,58-60,102,104-105H,9-16,25-34H2,1-8H3,(H2,76,106)(H2,77,107)(H2,78,108)(H,85,89)(H,90,103)(H,91,112)(H,92,110)(H,93,119)(H,94,111)(H,95,114)(H,96,113)(H,97,109)(H,98,117)(H,99,116)(H,100,115)(H,101,118)(H4,79,80,86)(H4,81,82,87)(H4,83,84,88)/t38-,39-,40+,47-,48-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Regensburg
Curated by ChEMBL
| Assay Description
Binding affinity to Y2 receptor (unknown origin) expressed in human LN319 cells by radioligand binding assay |
J Med Chem 56: 8422-31 (2013)
Article DOI: 10.1021/jm4008505
BindingDB Entry DOI: 10.7270/Q25X2BC9 |
More data for this
Ligand-Target Pair | |
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