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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 598.7
BDBM50034115
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 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 FF receptor 2


(Homo sapiens (Human))
BDBM50034115
PNG
(1N-[1-carbamoyl-2-phenyl-(1S)-ethyl]-5-amino(imino...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t21-,22-,23-,24-/m0/s1
UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
6.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [125I]EYF from human NPFFR2 expressed in CHO cell membranes


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(RAT)
BDBM50034115
PNG
(1N-[1-carbamoyl-2-phenyl-(1S)-ethyl]-5-amino(imino...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t21-,22-,23-,24-/m0/s1
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KEGG

UniProtKB/TrEMBL

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CHEMBL
MCE
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UniChem

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PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Burroughs Wellcome Company

Curated by ChEMBL


Assay Description
50% displacement of specifically bound [3H]-NPY2 from rat brain membranes.


J Med Chem 38: 1150-7 (1995)


BindingDB Entry DOI: 10.7270/Q2513X8D
More data for this
Ligand-Target Pair
Neuropeptide FF receptor 2


(Homo sapiens (Human))
BDBM50034115
PNG
(1N-[1-carbamoyl-2-phenyl-(1S)-ethyl]-5-amino(imino...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C29H42N8O4S/c1-42-16-14-23(35-26(39)21(30)17-19-9-4-2-5-10-19)28(41)36-22(13-8-15-34-29(32)33)27(40)37-24(25(31)38)18-20-11-6-3-7-12-20/h2-7,9-12,21-24H,8,13-18,30H2,1H3,(H2,31,38)(H,35,39)(H,36,41)(H,37,40)(H4,32,33,34)/t21-,22-,23-,24-/m0/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 517n/an/an/an/a


TBA

Assay Description
Agonist activity at human NPFFR2 expressed in CHO cells assessed as inhibition of forskolin-induced intracellular cyclic cAMP accumulation


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00643
BindingDB Entry DOI: 10.7270/Q2SJ1QC8
More data for this
Ligand-Target Pair