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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 280.3
BDBM68145
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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))
BDBM68145
PNG
(4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine | 4,5-...)
Show SMILES Cc1ccc(cc1)-c1nc(N)sc1-c1ccc(C)cc1
Show InChI InChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.33E+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)
BDBM68145
PNG
(4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine | 4,5-...)
Show SMILES Cc1ccc(cc1)-c1nc(N)sc1-c1ccc(C)cc1
Show InChI InChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

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)
BDBM68145
PNG
(4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine | 4,5-...)
Show SMILES Cc1ccc(cc1)-c1nc(N)sc1-c1ccc(C)cc1
Show InChI InChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

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