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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 = 'BDBM62681'   
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)
BDBM62681
PNG
(5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-...)
Show SMILES COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC
Show InChI InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 690n/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)
BDBM62681
PNG
(5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-...)
Show SMILES COc1ccc(CCNC(=O)c2nnn(c2N)-c2ccc3OCCOc3c2)cc1OC
Show InChI InChI=1S/C21H23N5O5/c1-28-15-5-3-13(11-17(15)29-2)7-8-23-21(27)19-20(22)26(25-24-19)14-4-6-16-18(12-14)31-10-9-30-16/h3-6,11-12H,7-10,22H2,1-2H3,(H,23,27)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 690n/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