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BDBM42420 3-(2-chloro-6-fluoro-benzyl)oxy-1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-methyl-4-pyridone::3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-pyridin-4-one::3-[(2-chloro-6-fluorobenzyl)oxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-4(1H)-pyridinone::3-[(2-chloro-6-fluorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-4-pyridinone::3-[(2-chloro-6-fluorophenyl)methoxy]-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methylpyridin-4-one::MLS000539938::SMR000125396::cid_1490113

SMILES: Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(cc1Cl)C(F)(F)F

InChI Key: InChIKey=MQXBEGVGQLPUGF-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 42420   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM42420
PNG
(3-(2-chloro-6-fluoro-benzyl)oxy-1-[3-chloro-5-(tri...)
Show SMILES Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C19H12Cl2F4N2O2/c1-10-17(29-9-12-13(20)3-2-4-15(12)22)16(28)5-6-27(10)18-14(21)7-11(8-26-18)19(23,24)25/h2-8H,9H2,1H3
PDB

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KEGG

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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2V1235Z
More data for this
Ligand-Target Pair
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42420
PNG
(3-(2-chloro-6-fluoro-benzyl)oxy-1-[3-chloro-5-(tri...)
Show SMILES Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C19H12Cl2F4N2O2/c1-10-17(29-9-12-13(20)3-2-4-15(12)22)16(28)5-6-27(10)18-14(21)7-11(8-26-18)19(23,24)25/h2-8H,9H2,1H3
PDB

Reactome pathway
KEGG

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2ZS2TWK
More data for this
Ligand-Target Pair