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2 similar compounds to monomer 50999

Compile data set for download or QSAR
Wt: 423.2
BDBM49553
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Wt: 358.4
BDBM49617
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 49553,49617   
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
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49617
PNG
(3-(1,3-benzodioxol-5-yl)-5-(4-methylphenyl)-2-meth...)
Show SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc2OCOc2c1)S(C)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-12-3-5-13(6-4-12)15-10-16(20(19-15)25(2,21)22)14-7-8-17-18(9-14)24-11-23-17/h3-9,16H,10-11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.65E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49553
PNG
(3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-methy...)
Show SMILES CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccc(Br)cc1
Show InChI InChI=1S/C17H15BrN2O4S/c1-25(21,22)20-15(12-4-7-16-17(8-12)24-10-23-16)9-14(19-20)11-2-5-13(18)6-3-11/h2-8,15H,9-10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.68E+3n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair