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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 402.3
BDBM63283

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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM63283
PNG
(1,3-benzothiazol-2-yl-[[5-chloro-1-(2-chlorophenyl...)
Show SMILES Cc1nn(c(Cl)c1CN=Nc1nc2ccccc2s1)-c1ccccc1Cl |w:9.10|
Show InChI InChI=1S/C18H13Cl2N5S/c1-11-12(17(20)25(24-11)15-8-4-2-6-13(15)19)10-21-23-18-22-14-7-3-5-9-16(14)26-18/h2-9H,10H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.43E+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
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM63283
PNG
(1,3-benzothiazol-2-yl-[[5-chloro-1-(2-chlorophenyl...)
Show SMILES Cc1nn(c(Cl)c1CN=Nc1nc2ccccc2s1)-c1ccccc1Cl |w:9.10|
Show InChI InChI=1S/C18H13Cl2N5S/c1-11-12(17(20)25(24-11)15-8-4-2-6-13(15)19)10-21-23-18-22-14-7-3-5-9-16(14)26-18/h2-9H,10H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.43E+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
X-box-binding protein 1


(Homo sapiens (Human))
BDBM63283
PNG
(1,3-benzothiazol-2-yl-[[5-chloro-1-(2-chlorophenyl...)
Show SMILES Cc1nn(c(Cl)c1CN=Nc1nc2ccccc2s1)-c1ccccc1Cl |w:9.10|
Show InChI InChI=1S/C18H13Cl2N5S/c1-11-12(17(20)25(24-11)15-8-4-2-6-13(15)19)10-21-23-18-22-14-7-3-5-9-16(14)26-18/h2-9H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.53E+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
Heat shock factor protein 1


(Mus musculus)
BDBM63283
PNG
(1,3-benzothiazol-2-yl-[[5-chloro-1-(2-chlorophenyl...)
Show SMILES Cc1nn(c(Cl)c1CN=Nc1nc2ccccc2s1)-c1ccccc1Cl |w:9.10|
Show InChI InChI=1S/C18H13Cl2N5S/c1-11-12(17(20)25(24-11)15-8-4-2-6-13(15)19)10-21-23-18-22-14-7-3-5-9-16(14)26-18/h2-9H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a<160n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair