Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuropeptide Y receptor type 2' and Ligand = 'BDBM50269173' 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)) | BDBM50269173
(CHEMBL4076934)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)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/C81H136N30O19/c1-42(2)31-54(73(126)110-81(5,6)77(130)109-63(43(3)113)75(128)102-51(23-15-29-95-80(89)90)65(118)100-52(25-26-61(82)115)68(121)99-49(21-13-27-93-78(85)86)66(119)103-53(64(84)117)32-45-17-9-7-10-18-45)104-72(125)58(36-62(83)116)108-69(122)55(33-46-19-11-8-12-20-46)105-70(123)57(35-48-38-92-41-97-48)107-71(124)56(34-47-37-91-40-96-47)106-67(120)50(22-14-28-94-79(87)88)101-74(127)60-24-16-30-111(60)76(129)59(39-112)98-44(4)114/h37-38,40-43,45-46,49-60,63,112-113H,7-36,39H2,1-6H3,(H2,82,115)(H2,83,116)(H2,84,117)(H,91,96)(H,92,97)(H,98,114)(H,99,121)(H,100,118)(H,101,127)(H,102,128)(H,103,119)(H,104,125)(H,105,123)(H,106,120)(H,107,124)(H,108,122)(H,109,130)(H,110,126)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)/t43-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,63+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | 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)) | BDBM50269173
(CHEMBL4076934)Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)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/C81H136N30O19/c1-42(2)31-54(73(126)110-81(5,6)77(130)109-63(43(3)113)75(128)102-51(23-15-29-95-80(89)90)65(118)100-52(25-26-61(82)115)68(121)99-49(21-13-27-93-78(85)86)66(119)103-53(64(84)117)32-45-17-9-7-10-18-45)104-72(125)58(36-62(83)116)108-69(122)55(33-46-19-11-8-12-20-46)105-70(123)57(35-48-38-92-41-97-48)107-71(124)56(34-47-37-91-40-96-47)106-67(120)50(22-14-28-94-79(87)88)101-74(127)60-24-16-30-111(60)76(129)59(39-112)98-44(4)114/h37-38,40-43,45-46,49-60,63,112-113H,7-36,39H2,1-6H3,(H2,82,115)(H2,83,116)(H2,84,117)(H,91,96)(H,92,97)(H,98,114)(H,99,121)(H,100,118)(H,101,127)(H,102,128)(H,103,119)(H,104,125)(H,105,123)(H,106,120)(H,107,124)(H,108,122)(H,109,130)(H,110,126)(H4,85,86,93)(H4,87,88,94)(H4,89,90,95)/t43-,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60-,63+/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 | 3.80 | 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 | |
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