BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 425.3
BDBM68073
Purchase

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

Found 4 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))
BDBM68073
PNG
(5-[4-(difluoromethoxy)phenyl]-3-[[(Z)-(2-keto-1-na...)
Show SMILES CC1(NC(=O)N(N=Cc2c(O)ccc3ccccc23)C1=O)c1ccc(OC(F)F)cc1 |w:6.5|
Show InChI InChI=1S/C22H17F2N3O4/c1-22(14-7-9-15(10-8-14)31-20(23)24)19(29)27(21(30)26-22)25-12-17-16-5-3-2-4-13(16)6-11-18(17)28/h2-12,20,28H,1H3,(H,26,30)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.09E+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)
BDBM68073
PNG
(5-[4-(difluoromethoxy)phenyl]-3-[[(Z)-(2-keto-1-na...)
Show SMILES CC1(NC(=O)N(N=Cc2c(O)ccc3ccccc23)C1=O)c1ccc(OC(F)F)cc1 |w:6.5|
Show InChI InChI=1S/C22H17F2N3O4/c1-22(14-7-9-15(10-8-14)31-20(23)24)19(29)27(21(30)26-22)25-12-17-16-5-3-2-4-13(16)6-11-18(17)28/h2-12,20,28H,1H3,(H,26,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.22E+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)
BDBM68073
PNG
(5-[4-(difluoromethoxy)phenyl]-3-[[(Z)-(2-keto-1-na...)
Show SMILES CC1(NC(=O)N(N=Cc2c(O)ccc3ccccc23)C1=O)c1ccc(OC(F)F)cc1 |w:6.5|
Show InChI InChI=1S/C22H17F2N3O4/c1-22(14-7-9-15(10-8-14)31-20(23)24)19(29)27(21(30)26-22)25-12-17-16-5-3-2-4-13(16)6-11-18(17)28/h2-12,20,28H,1H3,(H,26,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.22E+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
Corticotropin-releasing factor-binding protein


(Homo sapiens (Human))
BDBM68073
PNG
(5-[4-(difluoromethoxy)phenyl]-3-[[(Z)-(2-keto-1-na...)
Show SMILES CC1(NC(=O)N(N=Cc2c(O)ccc3ccccc23)C1=O)c1ccc(OC(F)F)cc1 |w:6.5|
Show InChI InChI=1S/C22H17F2N3O4/c1-22(14-7-9-15(10-8-14)31-20(23)24)19(29)27(21(30)26-22)25-12-17-16-5-3-2-4-13(16)6-11-18(17)28/h2-12,20,28H,1H3,(H,26,30)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>5.30E+4n/an/an/an/a



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 (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair