BindingDB logo
myBDB logout

BDBM50326770 4-isobutyl-5-methylene-2-oxo-1-(2,4,5-trichlorophenyl)-2,5-dihydro-1H-pyrrole-3-carbonitrile::CHEMBL1253938

SMILES: CC(C)CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(Cl)cc1Cl

InChI Key: InChIKey=NKKVUHPTHCADSY-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 = 50326770   
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)
BDBM50326770
PNG
(4-isobutyl-5-methylene-2-oxo-1-(2,4,5-trichlorophe...)
Show SMILES CC(C)CC1=C(C#N)C(=O)N(C1=C)c1cc(Cl)c(Cl)cc1Cl
Show InChI InChI=1S/C16H13Cl3N2O/c1-8(2)4-10-9(3)21(16(22)11(10)7-20)15-6-13(18)12(17)5-14(15)19/h5-6,8H,3-4H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.50E+3n/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