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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 520.5
BDBM61786
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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))
BDBM61786
PNG
(MLS000714627 | N-tert-butyl-2-(2-fluoro-N-[2-[5-(4...)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)c1ccccc1F)c1ccc(O)cc1
Show InChI InChI=1S/C27H26F2N6O3/c1-27(2,3)30-26(38)24(17-10-14-20(36)15-11-17)35(22-7-5-4-6-21(22)29)23(37)16-34-32-25(31-33-34)18-8-12-19(28)13-9-18/h4-15,24,36H,16H2,1-3H3,(H,30,38)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q28P5XX5
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM61786
PNG
(MLS000714627 | N-tert-butyl-2-(2-fluoro-N-[2-[5-(4...)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)Cn1nnc(n1)-c1ccc(F)cc1)c1ccccc1F)c1ccc(O)cc1
Show InChI InChI=1S/C27H26F2N6O3/c1-27(2,3)30-26(38)24(17-10-14-20(36)15-11-17)35(22-7-5-4-6-21(22)29)23(37)16-34-32-25(31-33-34)18-8-12-19(28)13-9-18/h4-15,24,36H,16H2,1-3H3,(H,30,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.54E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29P302B
More data for this
Ligand-Target Pair