BindingDB logo
myBDB logout

BDBM50158 (2E,3Z)-2-[ethoxy(hydroxy)methylene]-3-(4-propylbenzylidene)tetralin-1,4-quinone::(2E,3Z)-2-[ethoxy(hydroxy)methylidene]-3-[(4-propylphenyl)methylidene]naphthalene-1,4-dione::(2E,3Z)-2-[ethoxy(oxidanyl)methylidene]-3-[(4-propylphenyl)methylidene]naphthalene-1,4-dione::MLS000571357::SMR000193442::cid_5337202::ethyl 1-hydroxy-4-oxo-3-(4-propylbenzylidene)-3,4-dihydro-2-naphthalenecarboxylate

SMILES: CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1

InChI Key: InChIKey=NHIDBSJWSDETCX-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50158   
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
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50158
PNG
((2E,3Z)-2-[ethoxy(hydroxy)methylene]-3-(4-propylbe...)
Show SMILES CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H22O4/c1-3-7-15-10-12-16(13-11-15)14-19-20(23(26)27-4-2)22(25)18-9-6-5-8-17(18)21(19)24/h5-6,8-13H,3-4,7,14H2,1-2H3
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.32E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM50158
PNG
((2E,3Z)-2-[ethoxy(hydroxy)methylene]-3-(4-propylbe...)
Show SMILES CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H22O4/c1-3-7-15-10-12-16(13-11-15)14-19-20(23(26)27-4-2)22(25)18-9-6-5-8-17(18)21(19)24/h5-6,8-13H,3-4,7,14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.12E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20P0XFH
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM50158
PNG
((2E,3Z)-2-[ethoxy(hydroxy)methylene]-3-(4-propylbe...)
Show SMILES CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H22O4/c1-3-7-15-10-12-16(13-11-15)14-19-20(23(26)27-4-2)22(25)18-9-6-5-8-17(18)21(19)24/h5-6,8-13H,3-4,7,14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 5.70E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1016/j.bioorg.2014.07.011
BindingDB Entry DOI: 10.7270/Q2668BMS
More data for this
Ligand-Target Pair
neuronal munc18-1 binding protein


(Rattus norvegicus)
BDBM50158
PNG
((2E,3Z)-2-[ethoxy(hydroxy)methylene]-3-(4-propylbe...)
Show SMILES CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H22O4/c1-3-7-15-10-12-16(13-11-15)14-19-20(23(26)27-4-2)22(25)18-9-6-5-8-17(18)21(19)24/h5-6,8-13H,3-4,7,14H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 7.19E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


Article DOI: 10.1002/cbic.201300770
BindingDB Entry DOI: 10.7270/Q21V5CDC
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha Cav2.2


(Homo sapiens (Human))
BDBM50158
PNG
((2E,3Z)-2-[ethoxy(hydroxy)methylene]-3-(4-propylbe...)
Show SMILES CCCc1ccc(CC2=C(C(=O)OCC)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H22O4/c1-3-7-15-10-12-16(13-11-15)14-19-20(23(26)27-4-2)22(25)18-9-6-5-8-17(18)21(19)24/h5-6,8-13H,3-4,7,14H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.62E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute Network...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PZ578V
More data for this
Ligand-Target Pair