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BDBM50810 2-(2-cyanophenoxy)acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester::2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester::MLS000057334::SMR000063741::[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(2-cyanophenoxy)ethanoate::[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate::cid_2124211

SMILES: Cc1cc(C(=O)COC(=O)COc2ccccc2C#N)c(C)n1CC=C

InChI Key: InChIKey=MNZSMOANAWFQPI-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 = 50810   
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
BZLF2


(Human herpesvirus 4 type 2)
BDBM50810
PNG
(2-(2-cyanophenoxy)acetic acid [2-(1-allyl-2,5-dime...)
Show SMILES Cc1cc(C(=O)COC(=O)COc2ccccc2C#N)c(C)n1CC=C
Show InChI InChI=1S/C20H20N2O4/c1-4-9-22-14(2)10-17(15(22)3)18(23)12-26-20(24)13-25-19-8-6-5-7-16(19)11-21/h4-8,10H,1,9,12-13H2,2-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.21E+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: Theodore Jardetzky; Northw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2057DCW
More data for this
Ligand-Target Pair