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BDBM34600 (4Z)-4-[[(1,1-diketothiolan-3-yl)amino]methylene]-5-keto-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester::(4Z)-4-[[(1,1-dioxo-3-thiolanyl)amino]methylidene]-2-methyl-5-oxo-3-benzo[g]benzofurancarboxylic acid ethyl ester::MLS000090132::SMR000024750::cid_5771301::ethyl (4Z)-4-[[(1,1-dioxothiolan-3-yl)amino]methylidene]-2-methyl-5-oxobenzo[g][1]benzofuran-3-carboxylate::ethyl (4Z)-4-[[[1,1-bis(oxidanylidene)thiolan-3-yl]amino]methylidene]-2-methyl-5-oxidanylidene-benzo[g][1]benzofuran-3-carboxylate::ethyl (4Z)-4-{[(1,1-dioxidotetrahydrothien-3-yl)amino]methylene}-2-methyl-5-oxo-4,5-dihydronaphtho[1,2-b]furan-3-carboxylate

SMILES: CCOC(=O)c1c(C)oc2c1c(C=NC1CCS(=O)(=O)C1)c(O)c1ccccc21

InChI Key: InChIKey=PYAHCANWMVTMGR-LSHDLFTRNA-N

Data: 2 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 2 hits for monomerid = 34600   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM34600
PNG
((4Z)-4-[[(1,1-diketothiolan-3-yl)amino]methylene]-...)
Show SMILES CCOC(=O)c1c(C)oc2c1c(C=NC1CCS(=O)(=O)C1)c(O)c1ccccc21
Show InChI InChI=1/C21H21NO6S/c1-3-27-21(24)17-12(2)28-20-15-7-5-4-6-14(15)19(23)16(18(17)20)10-22-13-8-9-29(25,26)11-13/h4-7,10,13,23H,3,8-9,11H2,1-2H3/b22-10+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.60E+4n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM34600
PNG
((4Z)-4-[[(1,1-diketothiolan-3-yl)amino]methylene]-...)
Show SMILES CCOC(=O)c1c(C)oc2c1c(C=NC1CCS(=O)(=O)C1)c(O)c1ccccc21
Show InChI InChI=1/C21H21NO6S/c1-3-27-21(24)17-12(2)28-20-15-7-5-4-6-14(15)19(23)16(18(17)20)10-22-13-8-9-29(25,26)11-13/h4-7,10,13,23H,3,8-9,11H2,1-2H3/b22-10+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/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