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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 = 'BDBM50316626'   
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)
BDBM50316626
PNG
(2'-methoxy-1,1'-binaphthyl-2-ol | CHEMBL1094828)
Show SMILES COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(12.2,-23.98,;10.87,-23.22,;9.53,-23.99,;9.54,-25.53,;8.21,-26.31,;6.87,-25.54,;5.54,-26.32,;4.21,-25.56,;4.2,-24.01,;5.53,-23.24,;6.87,-24,;8.2,-23.23,;8.2,-21.7,;9.54,-20.92,;10.87,-21.69,;9.53,-19.37,;8.19,-18.61,;6.86,-19.38,;5.52,-18.62,;4.19,-19.39,;4.19,-20.94,;5.53,-21.71,;6.86,-20.93,)|
Show InChI InChI=1S/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from 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)
BDBM50316626
PNG
(2'-methoxy-1,1'-binaphthyl-2-ol | CHEMBL1094828)
Show SMILES COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(12.2,-23.98,;10.87,-23.22,;9.53,-23.99,;9.54,-25.53,;8.21,-26.31,;6.87,-25.54,;5.54,-26.32,;4.21,-25.56,;4.2,-24.01,;5.53,-23.24,;6.87,-24,;8.2,-23.23,;8.2,-21.7,;9.54,-20.92,;10.87,-21.69,;9.53,-19.37,;8.19,-18.61,;6.86,-19.38,;5.52,-18.62,;4.19,-19.39,;4.19,-20.94,;5.53,-21.71,;6.86,-20.93,)|
Show InChI InChI=1S/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated BH3-Bak peptide from 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)
BDBM50316626
PNG
(2'-methoxy-1,1'-binaphthyl-2-ol | CHEMBL1094828)
Show SMILES COc1ccc2ccccc2c1-c1c(O)ccc2ccccc12 |(12.2,-23.98,;10.87,-23.22,;9.53,-23.99,;9.54,-25.53,;8.21,-26.31,;6.87,-25.54,;5.54,-26.32,;4.21,-25.56,;4.2,-24.01,;5.53,-23.24,;6.87,-24,;8.2,-23.23,;8.2,-21.7,;9.54,-20.92,;10.87,-21.69,;9.53,-19.37,;8.19,-18.61,;6.86,-19.38,;5.52,-18.62,;4.19,-19.39,;4.19,-20.94,;5.53,-21.71,;6.86,-20.93,)|
Show InChI InChI=1S/C21H16O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)20-16-8-4-2-6-14(16)10-12-18(20)22/h2-13,22H,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.60E+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