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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Virokine/NFkB inhibitor' and Ligand = 'BDBM50316632'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM50316632
PNG
(2,6-dimethoxy-4-(4-methoxyphenethyl)phenol | CHEMB...)
Show SMILES COc1ccc(CCc2cc(OC)c(O)c(OC)c2)cc1
Show InChI InChI=1S/C17H20O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h6-11,18H,4-5H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from 0.5 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence p...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM50316632
PNG
(2,6-dimethoxy-4-(4-methoxyphenethyl)phenol | CHEMB...)
Show SMILES COc1ccc(CCc2cc(OC)c(O)c(OC)c2)cc1
Show InChI InChI=1S/C17H20O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h6-11,18H,4-5H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence polariza...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair
Virokine/NFkB inhibitor


(Vaccinia virus)
BDBM50316632
PNG
(2,6-dimethoxy-4-(4-methoxyphenethyl)phenol | CHEMB...)
Show SMILES COc1ccc(CCc2cc(OC)c(O)c(OC)c2)cc1
Show InChI InChI=1S/C17H20O4/c1-19-14-8-6-12(7-9-14)4-5-13-10-15(20-2)17(18)16(11-13)21-3/h6-11,18H,4-5H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from 1 uM Vaccinia virus recombinant N1L expressed in Escherichia coli BL21 (DE3) by fluorescence pol...


J Med Chem 53: 3899-906 (2010)


Article DOI: 10.1021/jm901446n
BindingDB Entry DOI: 10.7270/Q2NZ87SD
More data for this
Ligand-Target Pair