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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.4
BDBM61836
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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 1


(Homo sapiens (Human))
BDBM61836
PNG
(MLS000773678 | N-[[4-(difluoromethoxy)benzylidene]...)
Show SMILES FC(F)Oc1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c20-19(21)29-16-6-4-14(5-7-16)13-22-23-18(25)15-2-1-3-17(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12-13,19H,8-11H2,(H,23,25)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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/Q2SQ8XVD
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 2


(Homo sapiens (Human))
BDBM61836
PNG
(MLS000773678 | N-[[4-(difluoromethoxy)benzylidene]...)
Show SMILES FC(F)Oc1ccc(C=NNC(=O)c2cccc(c2)S(=O)(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C19H19F2N3O5S/c20-19(21)29-16-6-4-14(5-7-16)13-22-23-18(25)15-2-1-3-17(12-15)30(26,27)24-8-10-28-11-9-24/h1-7,12-13,19H,8-11H2,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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/Q2251GM6
More data for this
Ligand-Target Pair