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BDBM49423 (E)-3-(3,4-dimethylanilino)-2-(3-thienyl)acrylonitrile::(E)-3-(3,4-dimethylanilino)-2-(3-thiophenyl)-2-propenenitrile::(E)-3-(3,4-dimethylanilino)-2-thiophen-3-ylprop-2-enenitrile::(E)-3-[(3,4-dimethylphenyl)amino]-2-thiophen-3-yl-prop-2-enenitrile::MLS000539447::SMR000125105::cid_2766393

SMILES: Cc1ccc(cc1C)N=CC(C#N)c1ccsc1

InChI Key: InChIKey=NNVITGHWPHCCAR-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 = 49423   
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))
BDBM49423
PNG
((E)-3-(3,4-dimethylanilino)-2-(3-thienyl)acrylonit...)
Show SMILES Cc1ccc(cc1C)N=CC(C#N)c1ccsc1 |w:8.8|
Show InChI InChI=1S/C15H14N2S/c1-11-3-4-15(7-12(11)2)17-9-14(8-16)13-5-6-18-10-13/h3-7,9-10,14H,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49423
PNG
((E)-3-(3,4-dimethylanilino)-2-(3-thienyl)acrylonit...)
Show SMILES Cc1ccc(cc1C)N=CC(C#N)c1ccsc1 |w:8.8|
Show InChI InChI=1S/C15H14N2S/c1-11-3-4-15(7-12(11)2)17-9-14(8-16)13-5-6-18-10-13/h3-7,9-10,14H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.87E+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