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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 1843.2
BDBM50254358

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))
BDBM50254358
PNG
(CHEMBL4090636)
Show SMILES CCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)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)NC(CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C84H151N27O19/c1-10-51(98-69(119)52(29-20-34-95-81(89)90)100-73(123)57(37-44(2)3)104-77(127)62(43-112)109-67(117)46(6)85)68(118)106-59(40-49-25-16-12-17-26-49)74(124)107-60(41-50-27-18-13-19-28-50)75(125)108-61(42-64(87)115)76(126)105-58(38-45(4)5)78(128)111-84(8,9)80(130)110-65(47(7)113)79(129)102-54(31-22-36-97-83(93)94)70(120)101-55(32-33-63(86)114)72(122)99-53(30-21-35-96-82(91)92)71(121)103-56(66(88)116)39-48-23-14-11-15-24-48/h44-62,65,112-113H,10-43,85H2,1-9H3,(H2,86,114)(H2,87,115)(H2,88,116)(H,98,119)(H,99,122)(H,100,123)(H,101,120)(H,102,129)(H,103,121)(H,104,127)(H,105,126)(H,106,118)(H,107,124)(H,108,125)(H,109,117)(H,110,130)(H,111,128)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t46-,47+,51?,52-,53-,54-,55-,56?,57-,58-,59?,60?,61-,62-,65-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd., Fujisawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Y2R expressed in CHO cell membranes after 60 mins by liquid scintillation method


ACS Med Chem Lett 8: 628-631 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00047
BindingDB Entry DOI: 10.7270/Q2W37ZS8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM50254358
PNG
(CHEMBL4090636)
Show SMILES CCC(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCCCC1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)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)NC(CC1CCCCC1)C(N)=O |r|
Show InChI InChI=1S/C84H151N27O19/c1-10-51(98-69(119)52(29-20-34-95-81(89)90)100-73(123)57(37-44(2)3)104-77(127)62(43-112)109-67(117)46(6)85)68(118)106-59(40-49-25-16-12-17-26-49)74(124)107-60(41-50-27-18-13-19-28-50)75(125)108-61(42-64(87)115)76(126)105-58(38-45(4)5)78(128)111-84(8,9)80(130)110-65(47(7)113)79(129)102-54(31-22-36-97-83(93)94)70(120)101-55(32-33-63(86)114)72(122)99-53(30-21-35-96-82(91)92)71(121)103-56(66(88)116)39-48-23-14-11-15-24-48/h44-62,65,112-113H,10-43,85H2,1-9H3,(H2,86,114)(H2,87,115)(H2,88,116)(H,98,119)(H,99,122)(H,100,123)(H,101,120)(H,102,129)(H,103,121)(H,104,127)(H,105,126)(H,106,118)(H,107,124)(H,108,125)(H,109,117)(H,110,130)(H,111,128)(H4,89,90,95)(H4,91,92,96)(H4,93,94,97)/t46-,47+,51?,52-,53-,54-,55-,56?,57-,58-,59?,60?,61-,62-,65-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

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



Pharmaceutical Research Division, Takeda Pharmaceutical Company, Ltd., Fujisawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Displacement of [125I]-PYY from human Y2R expressed in CHO cell membranes after 60 mins by liquid scintillation method


ACS Med Chem Lett 8: 628-631 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00047
BindingDB Entry DOI: 10.7270/Q2W37ZS8
More data for this
Ligand-Target Pair