Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50269185' 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)) | BDBM50269185
(CHEMBL4069788)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)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](CC1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C86H145N27O19/c1-47(2)40-59(78(128)112-86(5,6)82(132)111-68(48(3)115)80(130)104-56(28-18-36-99-85(94)95)70(120)102-57(30-31-66(87)117)73(123)101-54(26-16-34-97-83(90)91)71(121)105-58(69(89)119)41-50-20-10-7-11-21-50)106-77(127)63(45-67(88)118)110-76(126)61(43-52-24-14-9-15-25-52)109-74(124)60(42-51-22-12-8-13-23-51)108-75(125)62(44-53-32-37-96-38-33-53)107-72(122)55(27-17-35-98-84(92)93)103-79(129)65-29-19-39-113(65)81(131)64(46-114)100-49(4)116/h32-33,37-38,47-48,50-52,54-65,68,114-115H,7-31,34-36,39-46H2,1-6H3,(H2,87,117)(H2,88,118)(H2,89,119)(H,100,116)(H,101,123)(H,102,120)(H,103,129)(H,104,130)(H,105,121)(H,106,127)(H,107,122)(H,108,125)(H,109,124)(H,110,126)(H,111,132)(H,112,128)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t48-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65-,68+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Displacement of [125I]peptide YY from human Y2 receptor expressed in CHO cell membranes after 60 mins by TopCount scintillation counting analysis |
Bioorg Med Chem Lett 27: 3829-3832 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.055 BindingDB Entry DOI: 10.7270/Q2MK6GC2 |
More data for this Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50269185
(CHEMBL4069788)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(C)=O)C(=O)NC(C)(C)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](CC1CCCCC1)C(N)=O |r| Show InChI InChI=1S/C86H145N27O19/c1-47(2)40-59(78(128)112-86(5,6)82(132)111-68(48(3)115)80(130)104-56(28-18-36-99-85(94)95)70(120)102-57(30-31-66(87)117)73(123)101-54(26-16-34-97-83(90)91)71(121)105-58(69(89)119)41-50-20-10-7-11-21-50)106-77(127)63(45-67(88)118)110-76(126)61(43-52-24-14-9-15-25-52)109-74(124)60(42-51-22-12-8-13-23-51)108-75(125)62(44-53-32-37-96-38-33-53)107-72(122)55(27-17-35-98-84(92)93)103-79(129)65-29-19-39-113(65)81(131)64(46-114)100-49(4)116/h32-33,37-38,47-48,50-52,54-65,68,114-115H,7-31,34-36,39-46H2,1-6H3,(H2,87,117)(H2,88,118)(H2,89,119)(H,100,116)(H,101,123)(H,102,120)(H,103,129)(H,104,130)(H,105,121)(H,106,127)(H,107,122)(H,108,125)(H,109,124)(H,110,126)(H,111,132)(H,112,128)(H4,90,91,97)(H4,92,93,98)(H4,94,95,99)/t48-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65-,68+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description Agonist activity at human Y2 receptor expressed in CHO cell membranes after 120 mins by [35S]GTPgammaS binding assay |
Bioorg Med Chem Lett 27: 3829-3832 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.055 BindingDB Entry DOI: 10.7270/Q2MK6GC2 |
More data for this Ligand-Target Pair | |