BindingDB logo
myBDB logout

2 similar compounds to monomer 31067

Compile data set for download or QSAR
Wt: 332.2
BDBM39118
Purchase
Wt: 332.2
BDBM70525

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 39118,70525   
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
Bfl-1


(Mus musculus (Mouse))
BDBM39118
PNG
(2-mesyl-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyr...)
Show SMILES COc1cccc(c1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O3S/c1-21-9-5-3-4-8(6-9)10-7-11(13(14,15)16)18-12(17-10)22(2,19)20/h3-7H,1-2H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.78E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2X065GM
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase RIPK2


(Homo sapiens (Human))
BDBM70525
PNG
(2-mesyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyr...)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O3S/c1-21-9-5-3-8(4-6-9)10-7-11(13(14,15)16)18-12(17-10)22(2,19)20/h3-7H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 5.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2T15278
More data for this
Ligand-Target Pair
Beta lactamase


(Pseudomonas aeruginosa)
BDBM70525
PNG
(2-mesyl-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyr...)
Show SMILES COc1ccc(cc1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O3S/c1-21-9-5-3-8(4-6-9)10-7-11(13(14,15)16)18-12(17-10)22(2,19)20/h3-7H,1-2H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2XS5T0R
More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM39118
PNG
(2-mesyl-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyr...)
Show SMILES COc1cccc(c1)-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O3S/c1-21-9-5-3-4-8(6-9)10-7-11(13(14,15)16)18-12(17-10)22(2,19)20/h3-7H,1-2H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.24E+3n/an/an/an/an/an/a



Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2K072NW
More data for this
Ligand-Target Pair