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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1737.0
BDBM50451010

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))
BDBM50451010
PNG
(CHEMBL4205712)
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(C)(C)NC(=O)[C@H]1CCCN1C(=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/C79H133N25O19/c1-43(106)60(70(119)95-49(26-18-34-90-76(86)87)62(111)94-51(28-29-58(81)108)64(113)92-48(25-17-33-89-75(84)85)63(112)96-52(61(83)110)38-45-20-11-9-12-21-45)100-74(123)79(7,8)101-67(116)50(24-15-16-32-80)93-66(115)55(41-59(82)109)99-72(121)77(3,4)102-68(117)54(39-46-22-13-10-14-23-46)97-65(114)53(40-47-30-35-88-36-31-47)98-73(122)78(5,6)103-69(118)57-27-19-37-104(57)71(120)56(42-105)91-44(2)107/h30-31,35-36,43,45-46,48-57,60,105-106H,9-29,32-34,37-42,80H2,1-8H3,(H2,81,108)(H2,82,109)(H2,83,110)(H,91,107)(H,92,113)(H,93,115)(H,94,111)(H,95,119)(H,96,112)(H,97,114)(H,98,122)(H,99,121)(H,100,123)(H,101,116)(H,102,117)(H,103,118)(H4,84,85,89)(H4,86,87,90)/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/an/a 4.5n/an/an/an/an/an/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))
BDBM50451010
PNG
(CHEMBL4205712)
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(C)(C)NC(=O)[C@H]1CCCN1C(=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/C79H133N25O19/c1-43(106)60(70(119)95-49(26-18-34-90-76(86)87)62(111)94-51(28-29-58(81)108)64(113)92-48(25-17-33-89-75(84)85)63(112)96-52(61(83)110)38-45-20-11-9-12-21-45)100-74(123)79(7,8)101-67(116)50(24-15-16-32-80)93-66(115)55(41-59(82)109)99-72(121)77(3,4)102-68(117)54(39-46-22-13-10-14-23-46)97-65(114)53(40-47-30-35-88-36-31-47)98-73(122)78(5,6)103-69(118)57-27-19-37-104(57)71(120)56(42-105)91-44(2)107/h30-31,35-36,43,45-46,48-57,60,105-106H,9-29,32-34,37-42,80H2,1-8H3,(H2,81,108)(H2,82,109)(H2,83,110)(H,91,107)(H,92,113)(H,93,115)(H,94,111)(H,95,119)(H,96,112)(H,97,114)(H,98,122)(H,99,121)(H,100,123)(H,101,116)(H,102,117)(H,103,118)(H4,84,85,89)(H4,86,87,90)/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/an/an/an/a 0.210n/an/an/an/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