BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 433.4
BDBM67962
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM67962
PNG
(MLS000581202 | N,4-bis[3-(trifluoromethyl)phenyl]-...)
Show SMILES FC(F)(F)c1cccc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H17F6N3S/c20-18(21,22)13-3-1-5-15(11-13)26-17(29)28-9-7-27(8-10-28)16-6-2-4-14(12-16)19(23,24)25/h1-6,11-12H,7-10H2,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.99E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67962
PNG
(MLS000581202 | N,4-bis[3-(trifluoromethyl)phenyl]-...)
Show SMILES FC(F)(F)c1cccc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H17F6N3S/c20-18(21,22)13-3-1-5-15(11-13)26-17(29)28-9-7-27(8-10-28)16-6-2-4-14(12-16)19(23,24)25/h1-6,11-12H,7-10H2,(H,26,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.76E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM67962
PNG
(MLS000581202 | N,4-bis[3-(trifluoromethyl)phenyl]-...)
Show SMILES FC(F)(F)c1cccc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C19H17F6N3S/c20-18(21,22)13-3-1-5-15(11-13)26-17(29)28-9-7-27(8-10-28)16-6-2-4-14(12-16)19(23,24)25/h1-6,11-12H,7-10H2,(H,26,29)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.76E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair