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BDBM95342 (E,4Z)-4-[amino-[4-(4-methoxyphenyl)-1-piperazinyl]methylidene]-2-cyano-2-pentenedioic acid diethyl ester::(E,4Z)-4-[amino-[4-(4-methoxyphenyl)piperazino]methylene]-2-cyano-pent-2-enedioic acid diethyl ester::MLS000539532::SMR000125190::cid_9551595::diethyl (E,4Z)-4-[amino-[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-cyanopent-2-enedioate::diethyl (E,4Z)-4-[azanyl-[4-(4-methoxyphenyl)piperazin-1-yl]methylidene]-2-cyano-pent-2-enedioate::diethyl 4-{amino[4-(4-methoxyphenyl)piperazino]methylene}-2-cyano-2-pentenedioate

SMILES: CCOC(=O)C(C=C(C(=O)OCC)C(=N)N1CCN(CC1)c1ccc(OC)cc1)C#N

InChI Key: InChIKey=RDHFHCDYKNDFHS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 95342   
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
MSRA protein


(Bos taurus)
BDBM95342
PNG
((E,4Z)-4-[amino-[4-(4-methoxyphenyl)-1-piperazinyl...)
Show SMILES CCOC(=O)C(C=C(C(=O)OCC)C(=N)N1CCN(CC1)c1ccc(OC)cc1)C#N |w:6.5|
Show InChI InChI=1S/C22H28N4O5/c1-4-30-21(27)16(15-23)14-19(22(28)31-5-2)20(24)26-12-10-25(11-13-26)17-6-8-18(29-3)9-7-17/h6-9,14,16,24H,4-5,10-13H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.39E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2639NCQ
More data for this
Ligand-Target Pair