BindingDB logo
myBDB logout

BDBM84000 2-[4-[[(E)-3-(4-ethoxyphenyl)-3-oxidanylidene-prop-1-enyl]amino]phenyl]sulfonylguanidine::2-[4-[[(E)-3-(4-ethoxyphenyl)-3-oxoprop-1-enyl]amino]phenyl]sulfonylguanidine::2-[4-[[(E)-3-keto-3-p-phenetyl-prop-1-enyl]amino]phenyl]sulfonylguanidine::MLS000547672::SMR000172025::cid_5945218

SMILES: CCOc1ccc(cc1)C(=O)CC=Nc1ccc(cc1)S(=O)(=O)NC(N)=N

InChI Key: InChIKey=FCDXQRHOPSVUED-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 = 84000   
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
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM84000
PNG
(2-[4-[[(E)-3-(4-ethoxyphenyl)-3-oxidanylidene-prop...)
Show SMILES CCOc1ccc(cc1)C(=O)CC=Nc1ccc(cc1)S(=O)(=O)NC(N)=N |w:13.14|
Show InChI InChI=1S/C18H20N4O4S/c1-2-26-15-7-3-13(4-8-15)17(23)11-12-21-14-5-9-16(10-6-14)27(24,25)22-18(19)20/h3-10,12H,2,11H2,1H3,(H4,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 6.28E+3n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q29C6VXX
More data for this
Ligand-Target Pair
Apoptotic peptidase activating factor 1


(Homo sapiens (Human))
BDBM84000
PNG
(2-[4-[[(E)-3-(4-ethoxyphenyl)-3-oxidanylidene-prop...)
Show SMILES CCOc1ccc(cc1)C(=O)CC=Nc1ccc(cc1)S(=O)(=O)NC(N)=N |w:13.14|
Show InChI InChI=1S/C18H20N4O4S/c1-2-26-15-7-3-13(4-8-15)17(23)11-12-21-14-5-9-16(10-6-14)27(24,25)22-18(19)20/h3-10,12H,2,11H2,1H3,(H4,19,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.00E+5n/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 (SBIMR, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB447H
More data for this
Ligand-Target Pair