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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Nuclear factor NF-kappa-B p105 subunit' and Ligand = 'BDBM50067033'   
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
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50067033
PNG
((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...)
Show SMILES COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
Show InChI InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3/b16-10+,17-11+
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 4.20E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
TRAP Assay: The first procedure called for antioxidant activity to be measured as the ability of the analogs to react with the pre-formed radical mon...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50067033
PNG
((2E,6E)-2,6-bis(4-hydroxy-3-methoxybenzylidene)cyc...)
Show SMILES COc1cc(\C=C2/CCC\C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O
Show InChI InChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3/b16-10+,17-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 4.40E+3n/an/an/an/an/an/a



STC.UNM

US Patent


Assay Description
The 293T/NF-κB-luc cells were re-plated 24 hr prior to treatment, into 24-well cell culture plates in media without hygromycin, to prevent it from...


US Patent US9187397 (2015)


BindingDB Entry DOI: 10.7270/Q2Q52NF9
More data for this
Ligand-Target Pair