Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50451008' 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)) | BDBM50451008
(CHEMBL4211953)Show SMILES C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(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/C80H138N28O19/c1-43(110)60(71(124)99-49(26-18-34-93-76(87)88)62(115)98-52(28-29-58(82)112)65(118)96-48(25-17-33-92-75(85)86)63(116)100-53(61(84)114)38-45-20-11-9-12-21-45)105-74(127)80(7,8)106-68(121)51(24-15-16-32-81)97-67(120)56(41-59(83)113)104-73(126)79(5,6)107-69(122)55(39-46-22-13-10-14-23-46)102-66(119)54(40-47-30-36-91-37-31-47)101-64(117)50(27-19-35-94-77(89)90)103-72(125)78(3,4)108-70(123)57(42-109)95-44(2)111/h30-31,36-37,43,45-46,48-57,60,109-110H,9-29,32-35,38-42,81H2,1-8H3,(H2,82,112)(H2,83,113)(H2,84,114)(H,95,111)(H,96,118)(H,97,120)(H,98,115)(H,99,124)(H,100,116)(H,101,117)(H,102,119)(H,103,125)(H,104,126)(H,105,127)(H,106,121)(H,107,122)(H,108,123)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,60+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Displacement of [125I]-PYY from human neuropeptide Y2 receptor expressed in CHO cell membranes incubated for 60 mins by TopCount based method |
Bioorg Med Chem 25: 5718-5725 (2017)
Article DOI: 10.1016/j.bmc.2017.08.044
BindingDB Entry DOI: 10.7270/Q23X8969 |
More data for this
Ligand-Target Pair | |
Neuropeptide Y receptor type 2
(Homo sapiens (Human)) | BDBM50451008
(CHEMBL4211953)Show SMILES C[C@@H](O)[C@H](NC(=O)C(C)(C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(C)(C)NC(=O)[C@H](CO)NC(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/C80H138N28O19/c1-43(110)60(71(124)99-49(26-18-34-93-76(87)88)62(115)98-52(28-29-58(82)112)65(118)96-48(25-17-33-92-75(85)86)63(116)100-53(61(84)114)38-45-20-11-9-12-21-45)105-74(127)80(7,8)106-68(121)51(24-15-16-32-81)97-67(120)56(41-59(83)113)104-73(126)79(5,6)107-69(122)55(39-46-22-13-10-14-23-46)102-66(119)54(40-47-30-36-91-37-31-47)101-64(117)50(27-19-35-94-77(89)90)103-72(125)78(3,4)108-70(123)57(42-109)95-44(2)111/h30-31,36-37,43,45-46,48-57,60,109-110H,9-29,32-35,38-42,81H2,1-8H3,(H2,82,112)(H2,83,113)(H2,84,114)(H,95,111)(H,96,118)(H,97,120)(H,98,115)(H,99,124)(H,100,116)(H,101,117)(H,102,119)(H,103,125)(H,104,126)(H,105,127)(H,106,121)(H,107,122)(H,108,123)(H4,85,86,92)(H4,87,88,93)(H4,89,90,94)/t43-,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,60+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company, Ltd.
Curated by ChEMBL
| Assay Description
Agonist activity at human neuropeptide Y2 receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 12... |
Bioorg Med Chem 25: 5718-5725 (2017)
Article DOI: 10.1016/j.bmc.2017.08.044
BindingDB Entry DOI: 10.7270/Q23X8969 |
More data for this
Ligand-Target Pair | |
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