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BDBM50326772 1-(2-isopropyl-6-methylphenyl)-5-methylene-2-oxo-4-phenyl-2,5-dihydro-1H-pyrrole-3-carbonitrile::CHEMBL1254031

SMILES: CC(C)c1cccc(C)c1N1C(=C)C(=C(C#N)C1=O)c1ccccc1

InChI Key: InChIKey=NTDRAPUWFKYBRG-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50326772   
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
Ecdysone receptor


(Lucilia cuprina)
BDBM50326772
PNG
(1-(2-isopropyl-6-methylphenyl)-5-methylene-2-oxo-4...)
Show SMILES CC(C)c1cccc(C)c1N1C(=C)C(=C(C#N)C1=O)c1ccccc1
Show InChI InChI=1S/C22H20N2O/c1-14(2)18-12-8-9-15(3)21(18)24-16(4)20(19(13-23)22(24)25)17-10-6-5-7-11-17/h5-12,14H,4H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



CSIRO Molecular and Health Technologies

Curated by ChEMBL


Assay Description
Binding affinity to Lucilia cuprina recombinant ecdysone receptor ligand binding domain after 3 hrs by fluorescence polarization assay


Bioorg Med Chem 18: 5647-60 (2010)


Article DOI: 10.1016/j.bmc.2010.06.020
BindingDB Entry DOI: 10.7270/Q2MK6D43
More data for this
Ligand-Target Pair