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BDBM34977 (4Z)-4-[(2-hydroxyethylamino)methylene]-5-keto-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester::(4Z)-4-[(2-hydroxyethylamino)methylidene]-2-methyl-5-oxo-3-benzo[g]benzofurancarboxylic acid ethyl ester::MLS000761560::SMR000371659::cid_5546403::ethyl (4Z)-4-[(2-hydroxyethylamino)methylidene]-2-methyl-5-oxidanylidene-benzo[g][1]benzofuran-3-carboxylate::ethyl (4Z)-4-[(2-hydroxyethylamino)methylidene]-2-methyl-5-oxobenzo[g][1]benzofuran-3-carboxylate

SMILES: CCOC(=O)c1c(C)oc2c1c(C=NCCO)c(O)c1ccccc21

InChI Key: InChIKey=OARQPERXYURWLM-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 34977   
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
MPI protein


(Homo sapiens (Human))
BDBM34977
PNG
((4Z)-4-[(2-hydroxyethylamino)methylene]-5-keto-2-m...)
Show SMILES CCOC(=O)c1c(C)oc2c1c(C=NCCO)c(O)c1ccccc21 |w:13.14|
Show InChI InChI=1S/C19H19NO5/c1-3-24-19(23)15-11(2)25-18-13-7-5-4-6-12(13)17(22)14(16(15)18)10-20-8-9-21/h4-7,10,21-22H,3,8-9H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.36E+3n/an/an/an/an/an/a



Sanford-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/Q2C827QV
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM34977
PNG
((4Z)-4-[(2-hydroxyethylamino)methylene]-5-keto-2-m...)
Show SMILES CCOC(=O)c1c(C)oc2c1c(C=NCCO)c(O)c1ccccc21 |w:13.14|
Show InChI InChI=1S/C19H19NO5/c1-3-24-19(23)15-11(2)25-18-13-7-5-4-6-12(13)17(22)14(16(15)18)10-20-8-9-21/h4-7,10,21-22H,3,8-9H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.48E+3n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair