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5 similar compounds to monomer 50326756

Compile data set for download or QSAR
Wt: 294.3
BDBM50326761
Wt: 294.3
BDBM50326763
Wt: 294.3
BDBM50326769
Wt: 328.4
BDBM50326772
Wt: 322.4
BDBM50326755

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50326761,50326763,50326769,50326772,50326755   
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)
BDBM50326755
PNG
(1-(2,5-di-tert-butylphenyl)-4-methyl-5-methylene-2...)
Show SMILES CC1=C(C#N)C(=O)N(C1=C)c1cc(ccc1C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C21H26N2O/c1-13-14(2)23(19(24)16(13)12-22)18-11-15(20(3,4)5)9-10-17(18)21(6,7)8/h9-11H,2H2,1,3-8H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.50E+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
Ecdysone receptor


(Lucilia cuprina)
BDBM50326761
PNG
(1-(2-tert-butylphenyl)-4-isopropyl-5-methylene-2-o...)
Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1ccccc1C(C)(C)C
Show InChI InChI=1S/C19H22N2O/c1-12(2)17-13(3)21(18(22)14(17)11-20)16-10-8-7-9-15(16)19(4,5)6/h7-10,12H,3H2,1-2,4-6H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.50E+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
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
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
Ecdysone receptor


(Lucilia cuprina)
BDBM50326769
PNG
(4-butyl-1-(2-ethyl-6-methylphenyl)-5-methylene-2-o...)
Show SMILES CCCCC1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1CC
Show InChI InChI=1S/C19H22N2O/c1-5-7-11-16-14(4)21(19(22)17(16)12-20)18-13(3)9-8-10-15(18)6-2/h8-10H,4-7,11H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+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
Ecdysone receptor


(Lucilia cuprina)
BDBM50326763
PNG
(4-isopropyl-1-(2-isopropyl-6-methylphenyl)-5-methy...)
Show SMILES CC(C)C1=C(C#N)C(=O)N(C1=C)c1c(C)cccc1C(C)C
Show InChI InChI=1S/C19H22N2O/c1-11(2)15-9-7-8-13(5)18(15)21-14(6)17(12(3)4)16(10-20)19(21)22/h7-9,11-12H,6H2,1-5H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.70E+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