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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA damage-inducible transcript 3 protein' and Ligand = 'BDBM67862'   
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)
BDBM67862
PNG
(1-(2-chlorobenzyl)-N-[5-(1-ethylpropyl)-1,3,4-thia...)
Show SMILES CCC(CC)c1nnc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)s1
Show InChI InChI=1S/C20H24ClN5OS/c1-5-14(6-2)19-23-24-20(28-19)22-18(27)17-12(3)25-26(13(17)4)11-15-9-7-8-10-16(15)21/h7-10,14H,5-6,11H2,1-4H3,(H,22,24,27)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a<160n/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)
BDBM67862
PNG
(1-(2-chlorobenzyl)-N-[5-(1-ethylpropyl)-1,3,4-thia...)
Show SMILES CCC(CC)c1nnc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)s1
Show InChI InChI=1S/C20H24ClN5OS/c1-5-14(6-2)19-23-24-20(28-19)22-18(27)17-12(3)25-26(13(17)4)11-15-9-7-8-10-16(15)21/h7-10,14H,5-6,11H2,1-4H3,(H,22,24,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a<160n/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