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BDBM49454 (2Z)-2-(1-anilinoethylidene)-1-benzothiophen-3-one::(2Z)-2-(1-anilinoethylidene)benzothiophen-3-one::(2Z)-2-(1-phenylazanylethylidene)-1-benzothiophen-3-one::2-[1-Phenylamino-eth-(Z)-ylidene]-benzo[b]thiophen-3-one::MLS000550925::SMR000145053::cid_5399972

SMILES: CC(=Nc1ccccc1)c1sc2ccccc2c1O

InChI Key: InChIKey=OWBIXPDECLROKM-UHFFFAOYSA-N

Data: 2 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 = 49454   
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))
BDBM49454
PNG
((2Z)-2-(1-anilinoethylidene)-1-benzothiophen-3-one...)
Show SMILES CC(=Nc1ccccc1)c1sc2ccccc2c1O |w:2.2|
Show InChI InChI=1S/C16H13NOS/c1-11(17-12-7-3-2-4-8-12)16-15(18)13-9-5-6-10-14(13)19-16/h2-10,18H,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.76E+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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49454
PNG
((2Z)-2-(1-anilinoethylidene)-1-benzothiophen-3-one...)
Show SMILES CC(=Nc1ccccc1)c1sc2ccccc2c1O |w:2.2|
Show InChI InChI=1S/C16H13NOS/c1-11(17-12-7-3-2-4-8-12)16-15(18)13-9-5-6-10-14(13)19-16/h2-10,18H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.49E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair