BindingDB logo
myBDB logout

BDBM47469 2-keto-4-phenylimino-N-styrylidene-but-3-enamide::2-oxidanylidene-N-(2-phenylethenylidene)-4-phenylimino-but-3-enamide::2-oxo-N-(2-phenylethenylidene)-4-phenylimino-3-butenamide::2-oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide::MLS000737077::SMR000394031::cid_238775

SMILES: O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc1ccccc1

InChI Key: InChIKey=DDGJLZWYTNCSEI-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 47469   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM47469
PNG
(2-keto-4-phenylimino-N-styrylidene-but-3-enamide |...)
Show SMILES O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc1ccccc1
Show InChI InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.07E+4n/an/an/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/Q20863Q9
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM47469
PNG
(2-keto-4-phenylimino-N-styrylidene-but-3-enamide |...)
Show SMILES O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc1ccccc1
Show InChI InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.61E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 4


(Homo sapiens (Human))
BDBM47469
PNG
(2-keto-4-phenylimino-N-styrylidene-but-3-enamide |...)
Show SMILES O=C(C=C=Nc1ccccc1)C(=O)N=C=Cc1ccccc1
Show InChI InChI=1S/C18H12N2O2/c21-17(12-14-19-16-9-5-2-6-10-16)18(22)20-13-11-15-7-3-1-4-8-15/h1-12H
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.55E+3n/an/an/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 (SRISMC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2319TBQ
More data for this
Ligand-Target Pair