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BDBM50326768 4-butyl-1-(2-chloro-6-methylphenyl)-5-methylene-2-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile::CHEMBL1254949

SMILES: CCCCC1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1Cl

InChI Key: InChIKey=YWFYQDLYWZUMHH-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 = 50326768   
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)
BDBM50326768
PNG
(4-butyl-1-(2-chloro-6-methylphenyl)-5-methylene-2-...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1Cl
Show InChI InChI=1S/C17H17ClN2O/c1-4-5-8-13-12(3)20(17(21)14(13)10-19)16-11(2)7-6-9-15(16)18/h6-7,9H,3-5,8H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.60E+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