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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 = 'BDBM67801'   
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)
BDBM67801
PNG
(3-(5-bromanyl-2-oxidanyl-phenyl)-N-hexyl-3-phenyl-...)
Show SMILES CCCCCCNC(=O)CC(c1ccccc1)c1cc(Br)ccc1O
Show InChI InChI=1S/C21H26BrNO2/c1-2-3-4-8-13-23-21(25)15-18(16-9-6-5-7-10-16)19-14-17(22)11-12-20(19)24/h5-7,9-12,14,18,24H,2-4,8,13,15H2,1H3,(H,23,25)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.10E+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)
BDBM67801
PNG
(3-(5-bromanyl-2-oxidanyl-phenyl)-N-hexyl-3-phenyl-...)
Show SMILES CCCCCCNC(=O)CC(c1ccccc1)c1cc(Br)ccc1O
Show InChI InChI=1S/C21H26BrNO2/c1-2-3-4-8-13-23-21(25)15-18(16-9-6-5-7-10-16)19-14-17(22)11-12-20(19)24/h5-7,9-12,14,18,24H,2-4,8,13,15H2,1H3,(H,23,25)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.10E+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