BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 568.6
BDBM68060

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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68060
PNG
(3-amino-5-(4-methylphenyl)imino-2-N-[4-(trifluorom...)
Show SMILES Cc1ccc(cc1)\N=C1/SC(C(=O)Nc2ccc(OC(F)(F)F)cc2)=C(N)C1C(=O)Nc1c(C)cc(C)cc1C |t:26|
Show InChI InChI=1S/C29H27F3N4O3S/c1-15-5-7-20(8-6-15)35-28-22(26(37)36-24-17(3)13-16(2)14-18(24)4)23(33)25(40-28)27(38)34-19-9-11-21(12-10-19)39-29(30,31)32/h5-14,22H,33H2,1-4H3,(H,34,38)(H,36,37)/b35-28-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM68060
PNG
(3-amino-5-(4-methylphenyl)imino-2-N-[4-(trifluorom...)
Show SMILES Cc1ccc(cc1)\N=C1/SC(C(=O)Nc2ccc(OC(F)(F)F)cc2)=C(N)C1C(=O)Nc1c(C)cc(C)cc1C |t:26|
Show InChI InChI=1S/C29H27F3N4O3S/c1-15-5-7-20(8-6-15)35-28-22(26(37)36-24-17(3)13-16(2)14-18(24)4)23(33)25(40-28)27(38)34-19-9-11-21(12-10-19)39-29(30,31)32/h5-14,22H,33H2,1-4H3,(H,34,38)(H,36,37)/b35-28-
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>1.00E+4n/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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM68060
PNG
(3-amino-5-(4-methylphenyl)imino-2-N-[4-(trifluorom...)
Show SMILES Cc1ccc(cc1)\N=C1/SC(C(=O)Nc2ccc(OC(F)(F)F)cc2)=C(N)C1C(=O)Nc1c(C)cc(C)cc1C |t:26|
Show InChI InChI=1S/C29H27F3N4O3S/c1-15-5-7-20(8-6-15)35-28-22(26(37)36-24-17(3)13-16(2)14-18(24)4)23(33)25(40-28)27(38)34-19-9-11-21(12-10-19)39-29(30,31)32/h5-14,22H,33H2,1-4H3,(H,34,38)(H,36,37)/b35-28-
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+4n/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