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BDBM93816 2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethylsulfanyl]pyrimidine::2-[2-(2-bromo-4-chloro-phenoxy)ethylthio]pyrimidine::2-[2-(2-bromo-4-chlorophenoxy)ethylsulfanyl]pyrimidine::2-[2-(2-bromo-4-chlorophenoxy)ethylthio]pyrimidine::2-{[2-(2-bromo-4-chlorophenoxy)ethyl]thio}pyrimidine::MLS000675409::SMR000293424::cid_2199876

SMILES: Clc1ccc(OCCSc2ncccn2)c(Br)c1

InChI Key: InChIKey=MSVBXLUEPIYGMR-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 93816   
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM93816
PNG
(2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethylsulfanyl...)
Show SMILES Clc1ccc(OCCSc2ncccn2)c(Br)c1
Show InChI InChI=1S/C12H10BrClN2OS/c13-10-8-9(14)2-3-11(10)17-6-7-18-12-15-4-1-5-16-12/h1-5,8H,6-7H2
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.75E+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 Affiliation: UT Southwestern Assay Provider: David Mangelsdorf,...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2ZP44SP
More data for this
Ligand-Target Pair
SKiNhead family member (skn-1)


(Caenorhabditis elegans)
BDBM93816
PNG
(2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethylsulfanyl...)
Show SMILES Clc1ccc(OCCSc2ncccn2)c(Br)c1
Show InChI InChI=1S/C12H10BrClN2OS/c13-10-8-9(14)2-3-11(10)17-6-7-18-12-15-4-1-5-16-12/h1-5,8H,6-7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.81E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2DV1HH8
More data for this
Ligand-Target Pair