BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1860.1
BDBM50269174

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50269174
PNG
(CHEMBL4059729)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)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/C84H138N28O20/c1-44(2)35-57(76(128)111-84(5,6)80(132)110-66(45(3)114)78(130)103-54(23-15-33-97-83(92)93)68(120)101-55(29-30-64(85)117)71(123)100-52(21-13-31-95-81(88)89)69(121)104-56(67(87)119)36-47-17-9-7-10-18-47)105-75(127)61(40-65(86)118)109-73(125)58(37-48-19-11-8-12-20-48)106-72(124)59(38-49-25-27-51(116)28-26-49)107-74(126)60(39-50-41-94-43-98-50)108-70(122)53(22-14-32-96-82(90)91)102-77(129)63-24-16-34-112(63)79(131)62(42-113)99-46(4)115/h25-28,41,43-45,47-48,52-63,66,113-114,116H,7-24,29-40,42H2,1-6H3,(H2,85,117)(H2,86,118)(H2,87,119)(H,94,98)(H,99,115)(H,100,123)(H,101,120)(H,102,129)(H,103,130)(H,104,121)(H,105,127)(H,106,124)(H,107,126)(H,108,122)(H,109,125)(H,110,132)(H,111,128)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t45-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,66+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/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))
BDBM50269174
PNG
(CHEMBL4059729)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1ccc(O)cc1)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/C84H138N28O20/c1-44(2)35-57(76(128)111-84(5,6)80(132)110-66(45(3)114)78(130)103-54(23-15-33-97-83(92)93)68(120)101-55(29-30-64(85)117)71(123)100-52(21-13-31-95-81(88)89)69(121)104-56(67(87)119)36-47-17-9-7-10-18-47)105-75(127)61(40-65(86)118)109-73(125)58(37-48-19-11-8-12-20-48)106-72(124)59(38-49-25-27-51(116)28-26-49)107-74(126)60(39-50-41-94-43-98-50)108-70(122)53(22-14-32-96-82(90)91)102-77(129)63-24-16-34-112(63)79(131)62(42-113)99-46(4)115/h25-28,41,43-45,47-48,52-63,66,113-114,116H,7-24,29-40,42H2,1-6H3,(H2,85,117)(H2,86,118)(H2,87,119)(H,94,98)(H,99,115)(H,100,123)(H,101,120)(H,102,129)(H,103,130)(H,104,121)(H,105,127)(H,106,124)(H,107,126)(H,108,122)(H,109,125)(H,110,132)(H,111,128)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t45-,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63-,66+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.5n/an/an/an/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